(3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one

C10H11NO2 — CID 131123234

IUPAC(3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one
SMILESC=C(C)[C@@H]1C(=O)N[C@@H]1c1ccco1
InChIInChI=1S/C10H11NO2/c1-6(2)8-9(11-10(8)12)7-4-3-5-13-7/h3-5,8-9H,1H2,2H3,(H,11,12)/t8-,9+/m0/s1
InChIKeyVKYFUHOFDADSFQ-DTWKUNHWSA-N
MW177.20 g/mol
LogP1.64
Rot. Bonds2

About (3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one

(3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one (PubChem CID 131123234) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one
PubChem CID131123234
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one
SMILESC=C(C)[C@@H]1C(=O)N[C@@H]1c1ccco1
InChIInChI=1S/C10H11NO2/c1-6(2)8-9(11-10(8)12)7-4-3-5-13-7/h3-5,8-9H,1H2,2H3,(H,11,12)/t8-,9+/m0/s1
InChIKeyVKYFUHOFDADSFQ-DTWKUNHWSA-N
XLogP1.64
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(furan-2-yl)azetidin-2-one
CID 82417177
5-(furan-2-yl)-2-oxoimidazolidine-4-carboxylic acid
CID 112710445
ethyl 6-(furan-2-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 90759980
(4R,5R)-4-(furan-2-yl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile
CID 92529043
3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 13032245
5-acetyl-4-ethoxy-6-(furan-2-yl)-1,3-diazinan-2-one
CID 102399859
(4S,5R)-5-(difluoromethyl)-4-(furan-2-yl)-1,3-oxazolidin-2-one
CID 10867400
(2S,3R,5R,6S)-2,6-bis(furan-2-yl)-4,4-dimethyl-3,5-dinitropiperidine
CID 11905247
4-(furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
propan-2-yl (4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1161319
(6S)-6-(furan-2-yl)-9,9-dimethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 6937678
2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid
CID 137370721

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one?
The IUPAC name of (3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one (CID 131123234) is (3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one?
The canonical SMILES for (3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one is C=C(C)[C@@H]1C(=O)N[C@@H]1c1ccco1.
What is the InChIKey of (3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one?
The InChIKey is VKYFUHOFDADSFQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6(2)8-9(11-10(8)12)7-4-3-5-13-7/h3-5,8-9H,1H2,2H3,(H,11,12)/t8-,9+/m0/s1.
What are the key properties of (3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one?
(3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one is sourced from PubChem (CID 131123234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).