(2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one

C14H16O2 — CID 102243390

IUPAC(2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one
SMILESCOc1ccccc1/C(C)=C1\CCCC1=O
InChIInChI=1S/C14H16O2/c1-10(11-7-5-8-13(11)15)12-6-3-4-9-14(12)16-2/h3-4,6,9H,5,7-8H2,1-2H3/b11-10+
InChIKeyBFJQCEMURZFSEZ-ZHACJKMWSA-N
MW216.28 g/mol
LogP3.22
Rot. Bonds2

About (2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one

(2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one (PubChem CID 102243390) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one
PubChem CID102243390
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one
SMILESCOc1ccccc1/C(C)=C1\CCCC1=O
InChIInChI=1S/C14H16O2/c1-10(11-7-5-8-13(11)15)12-6-3-4-9-14(12)16-2/h3-4,6,9H,5,7-8H2,1-2H3/b11-10+
InChIKeyBFJQCEMURZFSEZ-ZHACJKMWSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.22
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

formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
3-(2-methoxyphenyl)but-2-enal
CID 74217531
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxybenzoyl iodide
CID 139677083
CID 135043978
CID 135043978
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
3,3-bis(2-methoxyphenyl)prop-2-enal
CID 14347228
2-(4-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)benzoic acid
CID 86021263
2-methoxybenzoate;hydrochloride
CID 18793456
1-[(Z)-1,2-dichloroprop-1-enyl]-2-methoxybenzene
CID 118255169
ethane;methyl 2-methoxybenzoate
CID 178037044

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one?
The IUPAC name of (2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one (CID 102243390) is (2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one.
What is the SMILES notation for (2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one?
The canonical SMILES for (2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one is COc1ccccc1/C(C)=C1\CCCC1=O.
What is the InChIKey of (2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one?
The InChIKey is BFJQCEMURZFSEZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H16O2/c1-10(11-7-5-8-13(11)15)12-6-3-4-9-14(12)16-2/h3-4,6,9H,5,7-8H2,1-2H3/b11-10+.
What are the key properties of (2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one?
(2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one has a molecular weight of 216.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-(2-methoxyphenyl)ethylidene]cyclopentan-1-one is sourced from PubChem (CID 102243390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).