(E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one

C14H16O2 — CID 71560535

IUPAC(E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one
SMILESCC1=C(C(=O)/C=C/c2ccco2)CCCC1
InChIInChI=1S/C14H16O2/c1-11-5-2-3-7-13(11)14(15)9-8-12-6-4-10-16-12/h4,6,8-10H,2-3,5,7H2,1H3/b9-8+
InChIKeyCRMJTTABBVWHRM-CMDGGOBGSA-N
MW216.28 g/mol
LogP3.75
Rot. Bonds3

About (E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one (PubChem CID 71560535) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one
PubChem CID71560535
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one
SMILESCC1=C(C(=O)/C=C/c2ccco2)CCCC1
InChIInChI=1S/C14H16O2/c1-11-5-2-3-7-13(11)14(15)9-8-12-6-4-10-16-12/h4,6,8-10H,2-3,5,7H2,1H3/b9-8+
InChIKeyCRMJTTABBVWHRM-CMDGGOBGSA-N
XLogP3.75
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one
CID 2839502
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
CID 5376055
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2859153
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
(E)-3-(furan-2-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842503
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11623260

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one (CID 71560535) is (E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one is CC1=C(C(=O)/C=C/c2ccco2)CCCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one?
The InChIKey is CRMJTTABBVWHRM-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16O2/c1-11-5-2-3-7-13(11)14(15)9-8-12-6-4-10-16-12/h4,6,8-10H,2-3,5,7H2,1H3/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one has a molecular weight of 216.28 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one is sourced from PubChem (CID 71560535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).