1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide

C16H18N2O2 — CID 95626540

IUPAC1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)N[C@@H]2CCc3c(O)cccc32)CCCC1
InChIInChI=1S/C16H18N2O2/c17-10-16(8-1-2-9-16)15(20)18-13-7-6-12-11(13)4-3-5-14(12)19/h3-5,13,19H,1-2,6-9H2,(H,18,20)/t13-/m1/s1
InChIKeyPIHLLQODYJXVRT-CYBMUJFWSA-N
MW270.33 g/mol
LogP2.58
Rot. Bonds2

About 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide

1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide (PubChem CID 95626540) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
PubChem CID95626540
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)N[C@@H]2CCc3c(O)cccc32)CCCC1
InChIInChI=1S/C16H18N2O2/c17-10-16(8-1-2-9-16)15(20)18-13-7-6-12-11(13)4-3-5-14(12)19/h3-5,13,19H,1-2,6-9H2,(H,18,20)/t13-/m1/s1
InChIKeyPIHLLQODYJXVRT-CYBMUJFWSA-N
XLogP2.58
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide (CID 95626540) is 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide is N#CC1(C(=O)N[C@@H]2CCc3c(O)cccc32)CCCC1.
What is the InChIKey of 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide?
The InChIKey is PIHLLQODYJXVRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-10-16(8-1-2-9-16)15(20)18-13-7-6-12-11(13)4-3-5-14(12)19/h3-5,13,19H,1-2,6-9H2,(H,18,20)/t13-/m1/s1.
What are the key properties of 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide?
1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 95626540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).