N-butylcyclobutanecarboxamide

C9H17NO — CID 54360637

IUPACN-butylcyclobutanecarboxamide
SMILESCCCCNC(=O)C1CCC1
InChIInChI=1S/C9H17NO/c1-2-3-7-10-9(11)8-5-4-6-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyHEGPEXRCAPJWOZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds4

About N-butylcyclobutanecarboxamide

N-butylcyclobutanecarboxamide (PubChem CID 54360637) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-butylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-butylcyclobutanecarboxamide
PubChem CID54360637
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-butylcyclobutanecarboxamide
SMILESCCCCNC(=O)C1CCC1
InChIInChI=1S/C9H17NO/c1-2-3-7-10-9(11)8-5-4-6-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyHEGPEXRCAPJWOZ-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylcyclobutanecarboxamide?
The IUPAC name of N-butylcyclobutanecarboxamide (CID 54360637) is N-butylcyclobutanecarboxamide.
What is the SMILES notation for N-butylcyclobutanecarboxamide?
The canonical SMILES for N-butylcyclobutanecarboxamide is CCCCNC(=O)C1CCC1.
What is the InChIKey of N-butylcyclobutanecarboxamide?
The InChIKey is HEGPEXRCAPJWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-7-10-9(11)8-5-4-6-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-butylcyclobutanecarboxamide?
N-butylcyclobutanecarboxamide has a molecular weight of 155.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclobutanecarboxamide is sourced from PubChem (CID 54360637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).