N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide

C9H13NO3 — CID 11608038

IUPACN-[(3S)-2-oxooxolan-3-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C9H13NO3/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h2,7H,1,3-6H2,(H,10,11)/t7-/m0/s1
InChIKeySVGQJWCQSMPZPV-ZETCQYMHSA-N
MW183.21 g/mol
LogP0.38
Rot. Bonds4

About N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide

N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide (PubChem CID 11608038) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]pent-4-enamide
PubChem CID11608038
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C9H13NO3/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h2,7H,1,3-6H2,(H,10,11)/t7-/m0/s1
InChIKeySVGQJWCQSMPZPV-ZETCQYMHSA-N
XLogP0.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide (CID 11608038) is N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide is C=CCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide?
The InChIKey is SVGQJWCQSMPZPV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h2,7H,1,3-6H2,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide?
N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide has a molecular weight of 183.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]pent-4-enamide is sourced from PubChem (CID 11608038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).