N-butylcyclopropanecarboxamide

C8H15NO — CID 528610

IUPACN-butylcyclopropanecarboxamide
SMILESCCCCNC(=O)C1CC1
InChIInChI=1S/C8H15NO/c1-2-3-6-9-8(10)7-4-5-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyNUUBGZFKJPPGLQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds4

About N-butylcyclopropanecarboxamide

N-butylcyclopropanecarboxamide (PubChem CID 528610) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-butylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-butylcyclopropanecarboxamide
PubChem CID528610
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-butylcyclopropanecarboxamide
SMILESCCCCNC(=O)C1CC1
InChIInChI=1S/C8H15NO/c1-2-3-6-9-8(10)7-4-5-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyNUUBGZFKJPPGLQ-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
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-butylcyclopropanecarboxamide?
The IUPAC name of N-butylcyclopropanecarboxamide (CID 528610) is N-butylcyclopropanecarboxamide.
What is the SMILES notation for N-butylcyclopropanecarboxamide?
The canonical SMILES for N-butylcyclopropanecarboxamide is CCCCNC(=O)C1CC1.
What is the InChIKey of N-butylcyclopropanecarboxamide?
The InChIKey is NUUBGZFKJPPGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-6-9-8(10)7-4-5-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of N-butylcyclopropanecarboxamide?
N-butylcyclopropanecarboxamide has a molecular weight of 141.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclopropanecarboxamide is sourced from PubChem (CID 528610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).