N-cyclopropyl-N-phenylformamide

C10H11NO — CID 87498563

IUPACN-cyclopropyl-N-phenylformamide
SMILESO=CN(c1ccccc1)C1CC1
InChIInChI=1S/C10H11NO/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
InChIKeyWERSYQUGLGUUHA-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.81
Rot. Bonds3

About N-cyclopropyl-N-phenylformamide

N-cyclopropyl-N-phenylformamide (PubChem CID 87498563) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is N-cyclopropyl-N-phenylformamide.

Molecular Properties

Compound NameN-cyclopropyl-N-phenylformamide
PubChem CID87498563
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC NameN-cyclopropyl-N-phenylformamide
SMILESO=CN(c1ccccc1)C1CC1
InChIInChI=1S/C10H11NO/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
InChIKeyWERSYQUGLGUUHA-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-phenylformamide?
The IUPAC name of N-cyclopropyl-N-phenylformamide (CID 87498563) is N-cyclopropyl-N-phenylformamide.
What is the SMILES notation for N-cyclopropyl-N-phenylformamide?
The canonical SMILES for N-cyclopropyl-N-phenylformamide is O=CN(c1ccccc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-phenylformamide?
The InChIKey is WERSYQUGLGUUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2.
What are the key properties of N-cyclopropyl-N-phenylformamide?
N-cyclopropyl-N-phenylformamide has a molecular weight of 161.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-phenylformamide is sourced from PubChem (CID 87498563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).