N-(oxolan-2-yl)prop-2-enamide

C7H11NO2 — CID 22618942

IUPACN-(oxolan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCO1
InChIInChI=1S/C7H11NO2/c1-2-6(9)8-7-4-3-5-10-7/h2,7H,1,3-5H2,(H,8,9)
InChIKeyBEGQVQJNGGAFMP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds2

About N-(oxolan-2-yl)prop-2-enamide

N-(oxolan-2-yl)prop-2-enamide (PubChem CID 22618942) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(oxolan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(oxolan-2-yl)prop-2-enamide
PubChem CID22618942
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-(oxolan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCO1
InChIInChI=1S/C7H11NO2/c1-2-6(9)8-7-4-3-5-10-7/h2,7H,1,3-5H2,(H,8,9)
InChIKeyBEGQVQJNGGAFMP-UHFFFAOYSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxybutyl)prop-2-enamide
CID 13587534
N-(4-butoxybutyl)prop-2-enamide
CID 13587535
N-(4-methoxybutyl)prop-2-enamide
CID 13587536
N-(1-ethoxypropyl)prop-2-enamide
CID 18427073
N-(1-methoxybutyl)prop-2-enamide
CID 18668113
N-(1-ethoxyethyl)prop-2-enamide
CID 19100516
N-(1-ethoxybutyl)prop-2-enamide
CID 21831694
N-(1-butoxyethyl)prop-2-enamide
CID 22277883
N-[(oxolan-3-yl)methyl]prop-2-enamide
CID 60921012
N-[4-(3-aminopropoxy)butyl]prop-2-enamide
CID 139475720
2-methyl-N-(oxolan-2-yl)prop-2-enamide
CID 140064158
N-(4-ethoxybutyl)prop-2-enamide;molecular hydrogen
CID 143781910

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-yl)prop-2-enamide?
The IUPAC name of N-(oxolan-2-yl)prop-2-enamide (CID 22618942) is N-(oxolan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(oxolan-2-yl)prop-2-enamide?
The canonical SMILES for N-(oxolan-2-yl)prop-2-enamide is C=CC(=O)NC1CCCO1.
What is the InChIKey of N-(oxolan-2-yl)prop-2-enamide?
The InChIKey is BEGQVQJNGGAFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-6(9)8-7-4-3-5-10-7/h2,7H,1,3-5H2,(H,8,9).
What are the key properties of N-(oxolan-2-yl)prop-2-enamide?
N-(oxolan-2-yl)prop-2-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-yl)prop-2-enamide is sourced from PubChem (CID 22618942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).