N'-(2-phenylacetyl)cyclopentanecarbohydrazide

C14H18N2O2 — CID 2547922

IUPACN'-(2-phenylacetyl)cyclopentanecarbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)C1CCCC1
InChIInChI=1S/C14H18N2O2/c17-13(10-11-6-2-1-3-7-11)15-16-14(18)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)(H,16,18)
InChIKeyPKXNUZLBRBMQNR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.57
Rot. Bonds3

About N'-(2-phenylacetyl)cyclopentanecarbohydrazide

N'-(2-phenylacetyl)cyclopentanecarbohydrazide (PubChem CID 2547922) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N'-(2-phenylacetyl)cyclopentanecarbohydrazide.

Molecular Properties

Compound NameN'-(2-phenylacetyl)cyclopentanecarbohydrazide
PubChem CID2547922
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN'-(2-phenylacetyl)cyclopentanecarbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)C1CCCC1
InChIInChI=1S/C14H18N2O2/c17-13(10-11-6-2-1-3-7-11)15-16-14(18)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)(H,16,18)
InChIKeyPKXNUZLBRBMQNR-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylacetyl)cyclopentanecarbohydrazide?
The IUPAC name of N'-(2-phenylacetyl)cyclopentanecarbohydrazide (CID 2547922) is N'-(2-phenylacetyl)cyclopentanecarbohydrazide.
What is the SMILES notation for N'-(2-phenylacetyl)cyclopentanecarbohydrazide?
The canonical SMILES for N'-(2-phenylacetyl)cyclopentanecarbohydrazide is O=C(Cc1ccccc1)NNC(=O)C1CCCC1.
What is the InChIKey of N'-(2-phenylacetyl)cyclopentanecarbohydrazide?
The InChIKey is PKXNUZLBRBMQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(10-11-6-2-1-3-7-11)15-16-14(18)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)(H,16,18).
What are the key properties of N'-(2-phenylacetyl)cyclopentanecarbohydrazide?
N'-(2-phenylacetyl)cyclopentanecarbohydrazide has a molecular weight of 246.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylacetyl)cyclopentanecarbohydrazide is sourced from PubChem (CID 2547922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).