1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea

C18H23N3O2 — CID 100579847

IUPAC1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESCN1CC[C@H](NC(=O)NC[C@H]2C[C@]23CCc2ccccc23)C1=O
InChIInChI=1S/C18H23N3O2/c1-21-9-7-15(16(21)22)20-17(23)19-11-13-10-18(13)8-6-12-4-2-3-5-14(12)18/h2-5,13,15H,6-11H2,1H3,(H2,19,20,23)/t13-,15+,18-/m1/s1
InChIKeyAHHMAIOABVWEMU-QIIPPGSGSA-N
MW313.40 g/mol
LogP1.42
Rot. Bonds3

About 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea

1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (PubChem CID 100579847) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
PubChem CID100579847
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESCN1CC[C@H](NC(=O)NC[C@H]2C[C@]23CCc2ccccc23)C1=O
InChIInChI=1S/C18H23N3O2/c1-21-9-7-15(16(21)22)20-17(23)19-11-13-10-18(13)8-6-12-4-2-3-5-14(12)18/h2-5,13,15H,6-11H2,1H3,(H2,19,20,23)/t13-,15+,18-/m1/s1
InChIKeyAHHMAIOABVWEMU-QIIPPGSGSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
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CID 97226718
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226716
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100592197
1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
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1-(1-propanoylpyrrolidin-3-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea
CID 86769618
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97227402
1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
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CID 97055283
1-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97066420
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 124841179
N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051055

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The IUPAC name of 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (CID 100579847) is 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.
What is the SMILES notation for 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The canonical SMILES for 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is CN1CC[C@H](NC(=O)NC[C@H]2C[C@]23CCc2ccccc23)C1=O.
What is the InChIKey of 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The InChIKey is AHHMAIOABVWEMU-QIIPPGSGSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21-9-7-15(16(21)22)20-17(23)19-11-13-10-18(13)8-6-12-4-2-3-5-14(12)18/h2-5,13,15H,6-11H2,1H3,(H2,19,20,23)/t13-,15+,18-/m1/s1.
What are the key properties of 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea has a molecular weight of 313.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is sourced from PubChem (CID 100579847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).