N-butyloxolane-3-carboxamide

C9H17NO2 — CID 110848212

IUPACN-butyloxolane-3-carboxamide
SMILESCCCCNC(=O)C1CCOC1
InChIInChI=1S/C9H17NO2/c1-2-3-5-10-9(11)8-4-6-12-7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyDYPJMNZVOBPKJA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds4

About N-butyloxolane-3-carboxamide

N-butyloxolane-3-carboxamide (PubChem CID 110848212) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-butyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-butyloxolane-3-carboxamide
PubChem CID110848212
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-butyloxolane-3-carboxamide
SMILESCCCCNC(=O)C1CCOC1
InChIInChI=1S/C9H17NO2/c1-2-3-5-10-9(11)8-4-6-12-7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyDYPJMNZVOBPKJA-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Methoxymethyl)pyrrolidin-2-one
CID 10351722
N-butyl-2-oxooxolane-3-carboxamide
CID 56935690
2-oxo-N-pentyloxolane-3-carboxamide
CID 56935691
N-hexyl-2-oxooxolane-3-carboxamide
CID 56935692
N-[3-(2-methylpropylsulfanyl)propyl]oxolane-3-carboxamide
CID 71909305
(3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide
CID 164640063
CID 59324294
CID 59324294
4-[3-(fluoroamino)-2-methyl-3-oxopropoxy]-N,2-dimethylbutanamide
CID 59335532
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
N-ethyl-3-fluorooxolane-3-carboxamide
CID 130709196
3-fluoro-N-propan-2-yloxolane-3-carboxamide
CID 131038892
(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide
CID 169194180

Frequently Asked Questions

What is the IUPAC name of N-butyloxolane-3-carboxamide?
The IUPAC name of N-butyloxolane-3-carboxamide (CID 110848212) is N-butyloxolane-3-carboxamide.
What is the SMILES notation for N-butyloxolane-3-carboxamide?
The canonical SMILES for N-butyloxolane-3-carboxamide is CCCCNC(=O)C1CCOC1.
What is the InChIKey of N-butyloxolane-3-carboxamide?
The InChIKey is DYPJMNZVOBPKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-5-10-9(11)8-4-6-12-7-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-butyloxolane-3-carboxamide?
N-butyloxolane-3-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyloxolane-3-carboxamide is sourced from PubChem (CID 110848212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).