1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea

C16H19N3O — CID 97347739

IUPAC1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
SMILESN#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H19N3O/c17-10-13-5-2-6-15(13)19-16(20)18-14-8-7-11-3-1-4-12(11)9-14/h7-9,13,15H,1-6H2,(H2,18,19,20)/t13-,15-/m0/s1
InChIKeyKCSIQBZFBRKJRP-ZFWWWQNUSA-N
MW269.35 g/mol
LogP2.99
Rot. Bonds2

About 1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea

1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea (PubChem CID 97347739) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
PubChem CID97347739
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
SMILESN#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H19N3O/c17-10-13-5-2-6-15(13)19-16(20)18-14-8-7-11-3-1-4-12(11)9-14/h7-9,13,15H,1-6H2,(H2,18,19,20)/t13-,15-/m0/s1
InChIKeyKCSIQBZFBRKJRP-ZFWWWQNUSA-N
XLogP2.99
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea?
The IUPAC name of 1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea (CID 97347739) is 1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea?
The canonical SMILES for 1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea is N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea?
The InChIKey is KCSIQBZFBRKJRP-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H19N3O/c17-10-13-5-2-6-15(13)19-16(20)18-14-8-7-11-3-1-4-12(11)9-14/h7-9,13,15H,1-6H2,(H2,18,19,20)/t13-,15-/m0/s1.
What are the key properties of 1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea?
1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea has a molecular weight of 269.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea is sourced from PubChem (CID 97347739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).