N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide

C9H15NO3 — CID 81130521

IUPACN-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C9H15NO3/c1-2-8(11)10-7-9(12)3-5-13-6-4-9/h2,12H,1,3-7H2,(H,10,11)
InChIKeyUSECFRKLIZBXDA-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.17
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide

N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide (PubChem CID 81130521) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide
PubChem CID81130521
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C9H15NO3/c1-2-8(11)10-7-9(12)3-5-13-6-4-9/h2,12H,1,3-7H2,(H,10,11)
InChIKeyUSECFRKLIZBXDA-UHFFFAOYSA-N
XLogP-0.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide (CID 81130521) is N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide is C=CC(=O)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide?
The InChIKey is USECFRKLIZBXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-8(11)10-7-9(12)3-5-13-6-4-9/h2,12H,1,3-7H2,(H,10,11).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide?
N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide has a molecular weight of 185.22 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 81130521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).