[(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol

C15H21NO — CID 166644986

IUPAC[(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol
SMILESC/N=C(\C)c1ccc([C@@H]2CC[C@H](CO)C2)cc1
InChIInChI=1S/C15H21NO/c1-11(16-2)13-5-7-14(8-6-13)15-4-3-12(9-15)10-17/h5-8,12,15,17H,3-4,9-10H2,1-2H3/b16-11+/t12-,15+/m0/s1
InChIKeyOVMVJNZCOHGVLZ-XZQGJZOMSA-N
MW231.34 g/mol
LogP3.00
Rot. Bonds3

About [(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol

[(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol (PubChem CID 166644986) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol
PubChem CID166644986
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol
SMILESC/N=C(\C)c1ccc([C@@H]2CC[C@H](CO)C2)cc1
InChIInChI=1S/C15H21NO/c1-11(16-2)13-5-7-14(8-6-13)15-4-3-12(9-15)10-17/h5-8,12,15,17H,3-4,9-10H2,1-2H3/b16-11+/t12-,15+/m0/s1
InChIKeyOVMVJNZCOHGVLZ-XZQGJZOMSA-N
XLogP3.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol?
The IUPAC name of [(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol (CID 166644986) is [(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol is C/N=C(\C)c1ccc([C@@H]2CC[C@H](CO)C2)cc1.
What is the InChIKey of [(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol?
The InChIKey is OVMVJNZCOHGVLZ-XZQGJZOMSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(16-2)13-5-7-14(8-6-13)15-4-3-12(9-15)10-17/h5-8,12,15,17H,3-4,9-10H2,1-2H3/b16-11+/t12-,15+/m0/s1.
What are the key properties of [(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol?
[(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol has a molecular weight of 231.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[4-(C,N-dimethylcarbonimidoyl)phenyl]cyclopentyl]methanol is sourced from PubChem (CID 166644986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).