N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide

C16H19NO2 — CID 102738971

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)C1CC2CC2C1
InChIInChI=1S/C16H19NO2/c18-14-8-9-3-1-2-4-13(9)15(14)17-16(19)12-6-10-5-11(10)7-12/h1-4,10-12,14-15,18H,5-8H2,(H,17,19)/t10?,11?,12?,14-,15+/m1/s1
InChIKeyQCZNYZMSSXSAJR-ZFFQGIBWSA-N
MW257.33 g/mol
LogP1.81
Rot. Bonds2

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 102738971) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID102738971
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)C1CC2CC2C1
InChIInChI=1S/C16H19NO2/c18-14-8-9-3-1-2-4-13(9)15(14)17-16(19)12-6-10-5-11(10)7-12/h1-4,10-12,14-15,18H,5-8H2,(H,17,19)/t10?,11?,12?,14-,15+/m1/s1
InChIKeyQCZNYZMSSXSAJR-ZFFQGIBWSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103816843
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
CID 62758276
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 103860628
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103863044
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 71983627
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide (CID 102738971) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide is O=C(N[C@H]1c2ccccc2C[C@H]1O)C1CC2CC2C1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is QCZNYZMSSXSAJR-ZFFQGIBWSA-N. The full InChI is InChI=1S/C16H19NO2/c18-14-8-9-3-1-2-4-13(9)15(14)17-16(19)12-6-10-5-11(10)7-12/h1-4,10-12,14-15,18H,5-8H2,(H,17,19)/t10?,11?,12?,14-,15+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 102738971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).