N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide

C15H25NO2 — CID 167891122

IUPACN-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESCCC(CC)C1CC(NC(=O)C23CC2C3)CCO1
InChIInChI=1S/C15H25NO2/c1-3-10(4-2)13-7-12(5-6-18-13)16-14(17)15-8-11(15)9-15/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyMDYKTOSQCLTRML-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.50
Rot. Bonds5

About N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide

N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167891122) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167891122
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESCCC(CC)C1CC(NC(=O)C23CC2C3)CCO1
InChIInChI=1S/C15H25NO2/c1-3-10(4-2)13-7-12(5-6-18-13)16-14(17)15-8-11(15)9-15/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyMDYKTOSQCLTRML-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide (CID 167891122) is N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide is CCC(CC)C1CC(NC(=O)C23CC2C3)CCO1.
What is the InChIKey of N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is MDYKTOSQCLTRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-10(4-2)13-7-12(5-6-18-13)16-14(17)15-8-11(15)9-15/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167891122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).