N-cyclopropyl-N-pentylformamide

C9H17NO — CID 22370205

IUPACN-cyclopropyl-N-pentylformamide
SMILESCCCCCN(C=O)C1CC1
InChIInChI=1S/C9H17NO/c1-2-3-4-7-10(8-11)9-5-6-9/h8-9H,2-7H2,1H3
InChIKeyIDFKXUPFBDRXAB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.80
Rot. Bonds6

About N-cyclopropyl-N-pentylformamide

N-cyclopropyl-N-pentylformamide (PubChem CID 22370205) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-cyclopropyl-N-pentylformamide.

Molecular Properties

Compound NameN-cyclopropyl-N-pentylformamide
PubChem CID22370205
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-cyclopropyl-N-pentylformamide
SMILESCCCCCN(C=O)C1CC1
InChIInChI=1S/C9H17NO/c1-2-3-4-7-10(8-11)9-5-6-9/h8-9H,2-7H2,1H3
InChIKeyIDFKXUPFBDRXAB-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-pentylformamide?
The IUPAC name of N-cyclopropyl-N-pentylformamide (CID 22370205) is N-cyclopropyl-N-pentylformamide.
What is the SMILES notation for N-cyclopropyl-N-pentylformamide?
The canonical SMILES for N-cyclopropyl-N-pentylformamide is CCCCCN(C=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-pentylformamide?
The InChIKey is IDFKXUPFBDRXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-7-10(8-11)9-5-6-9/h8-9H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-N-pentylformamide?
N-cyclopropyl-N-pentylformamide has a molecular weight of 155.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-pentylformamide is sourced from PubChem (CID 22370205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).