[5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol

C18H21NO2 — CID 97055664

IUPAC[5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC[C@@H]2C[C@]23CCc2ccccc23)o1
InChIInChI=1S/C18H21NO2/c20-12-16-6-5-15(21-16)11-19-10-14-9-18(14)8-7-13-3-1-2-4-17(13)18/h1-6,14,19-20H,7-12H2/t14-,18+/m0/s1
InChIKeyGJIMEHIKKVAMKT-KBXCAEBGSA-N
MW283.37 g/mol
LogP2.77
Rot. Bonds5

About [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol

[5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol (PubChem CID 97055664) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol
PubChem CID97055664
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC[C@@H]2C[C@]23CCc2ccccc23)o1
InChIInChI=1S/C18H21NO2/c20-12-16-6-5-15(21-16)11-19-10-14-9-18(14)8-7-13-3-1-2-4-17(13)18/h1-6,14,19-20H,7-12H2/t14-,18+/m0/s1
InChIKeyGJIMEHIKKVAMKT-KBXCAEBGSA-N
XLogP2.77
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 97055666
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclopropanamine
CID 62712616
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 62707821
N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
CID 99695886
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)furan-3-carboxamide
CID 71972459
[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 94557979
2-methyl-N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)propan-1-amine
CID 62713354
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
3-methyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]furan-2-carboxamide
CID 97051941
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051053
1-(2-hydroxyethyl)-1-propyl-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97055271

Frequently Asked Questions

What is the IUPAC name of [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol (CID 97055664) is [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol is OCc1ccc(CNC[C@@H]2C[C@]23CCc2ccccc23)o1.
What is the InChIKey of [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol?
The InChIKey is GJIMEHIKKVAMKT-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H21NO2/c20-12-16-6-5-15(21-16)11-19-10-14-9-18(14)8-7-13-3-1-2-4-17(13)18/h1-6,14,19-20H,7-12H2/t14-,18+/m0/s1.
What are the key properties of [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol?
[5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol has a molecular weight of 283.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 97055664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).