1-butan-2-ylcyclopropane-1-carboxamide

C8H15NO — CID 148748244

IUPAC1-butan-2-ylcyclopropane-1-carboxamide
SMILESCCC(C)C1(C(N)=O)CC1
InChIInChI=1S/C8H15NO/c1-3-6(2)8(4-5-8)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyOEEHOMSSBYOIDY-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.30
Rot. Bonds3

About 1-butan-2-ylcyclopropane-1-carboxamide

1-butan-2-ylcyclopropane-1-carboxamide (PubChem CID 148748244) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-butan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-butan-2-ylcyclopropane-1-carboxamide
PubChem CID148748244
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-butan-2-ylcyclopropane-1-carboxamide
SMILESCCC(C)C1(C(N)=O)CC1
InChIInChI=1S/C8H15NO/c1-3-6(2)8(4-5-8)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyOEEHOMSSBYOIDY-UHFFFAOYSA-N
XLogP1.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-butan-2-ylcyclopropane-1-carboxamide (CID 148748244) is 1-butan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-butan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-butan-2-ylcyclopropane-1-carboxamide is CCC(C)C1(C(N)=O)CC1.
What is the InChIKey of 1-butan-2-ylcyclopropane-1-carboxamide?
The InChIKey is OEEHOMSSBYOIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-6(2)8(4-5-8)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 1-butan-2-ylcyclopropane-1-carboxamide?
1-butan-2-ylcyclopropane-1-carboxamide has a molecular weight of 141.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 148748244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).