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

C16H20N2O — CID 97050624

IUPAC1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESO=C(NC[C@H]1C[C@]12CCc1ccccc12)NC1CC1
InChIInChI=1S/C16H20N2O/c19-15(18-13-5-6-13)17-10-12-9-16(12)8-7-11-3-1-2-4-14(11)16/h1-4,12-13H,5-10H2,(H2,17,18,19)/t12-,16-/m1/s1
InChIKeyZRCNRJDQEINILP-MLGOLLRUSA-N
MW256.35 g/mol
LogP2.35
Rot. Bonds3

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

1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (PubChem CID 97050624) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
PubChem CID97050624
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESO=C(NC[C@H]1C[C@]12CCc1ccccc12)NC1CC1
InChIInChI=1S/C16H20N2O/c19-15(18-13-5-6-13)17-10-12-9-16(12)8-7-11-3-1-2-4-14(11)16/h1-4,12-13H,5-10H2,(H2,17,18,19)/t12-,16-/m1/s1
InChIKeyZRCNRJDQEINILP-MLGOLLRUSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea with MolForge

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Related Compounds

1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
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-(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-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100579847
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclopropanamine
CID 62712616
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
1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
CID 98850145
N-[2-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methylcarbamoylamino]ethyl]cyclopropanecarboxamide
CID 97225874
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97055291
1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97010008

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (CID 97050624) is 1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is O=C(NC[C@H]1C[C@]12CCc1ccccc12)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The InChIKey is ZRCNRJDQEINILP-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H20N2O/c19-15(18-13-5-6-13)17-10-12-9-16(12)8-7-11-3-1-2-4-14(11)16/h1-4,12-13H,5-10H2,(H2,17,18,19)/t12-,16-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea has a molecular weight of 256.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is sourced from PubChem (CID 97050624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).