N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide

C14H20N2O3 — CID 90667762

IUPACN-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide
SMILESC=CCCCC(=O)N[C@H]1CN(C(=O)CCC=C)C1=O
InChIInChI=1S/C14H20N2O3/c1-3-5-7-8-12(17)15-11-10-16(14(11)19)13(18)9-6-4-2/h3-4,11H,1-2,5-10H2,(H,15,17)/t11-/m0/s1
InChIKeyJNHMDSGKLNQIGM-NSHDSACASA-N
MW264.32 g/mol
LogP1.16
Rot. Bonds8

About N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide

N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide (PubChem CID 90667762) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide.

Molecular Properties

Compound NameN-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide
PubChem CID90667762
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide
SMILESC=CCCCC(=O)N[C@H]1CN(C(=O)CCC=C)C1=O
InChIInChI=1S/C14H20N2O3/c1-3-5-7-8-12(17)15-11-10-16(14(11)19)13(18)9-6-4-2/h3-4,11H,1-2,5-10H2,(H,15,17)/t11-/m0/s1
InChIKeyJNHMDSGKLNQIGM-NSHDSACASA-N
XLogP1.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide?
The IUPAC name of N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide (CID 90667762) is N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide.
What is the SMILES notation for N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide?
The canonical SMILES for N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide is C=CCCCC(=O)N[C@H]1CN(C(=O)CCC=C)C1=O.
What is the InChIKey of N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide?
The InChIKey is JNHMDSGKLNQIGM-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-5-7-8-12(17)15-11-10-16(14(11)19)13(18)9-6-4-2/h3-4,11H,1-2,5-10H2,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide?
N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide has a molecular weight of 264.32 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]hex-5-enamide is sourced from PubChem (CID 90667762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).