(E)-3-(cyclohexen-1-yl)prop-2-enoic acid

C9H12O2 — CID 5358361

IUPAC(E)-3-(cyclohexen-1-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/C1=CCCCC1
InChIInChI=1S/C9H12O2/c10-9(11)7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H,10,11)/b7-6+
InChIKeyHTBJZZUJRAWYLX-VOTSOKGWSA-N
MW152.19 g/mol
LogP2.13
Rot. Bonds2

About (E)-3-(cyclohexen-1-yl)prop-2-enoic acid

(E)-3-(cyclohexen-1-yl)prop-2-enoic acid (PubChem CID 5358361) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (E)-3-(cyclohexen-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(cyclohexen-1-yl)prop-2-enoic acid
PubChem CID5358361
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(E)-3-(cyclohexen-1-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/C1=CCCCC1
InChIInChI=1S/C9H12O2/c10-9(11)7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H,10,11)/b7-6+
InChIKeyHTBJZZUJRAWYLX-VOTSOKGWSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(cyclohexen-1-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(cyclohexen-1-yl)prop-2-enoic acid (CID 5358361) is (E)-3-(cyclohexen-1-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(cyclohexen-1-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(cyclohexen-1-yl)prop-2-enoic acid is O=C(O)/C=C/C1=CCCCC1.
What is the InChIKey of (E)-3-(cyclohexen-1-yl)prop-2-enoic acid?
The InChIKey is HTBJZZUJRAWYLX-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H12O2/c10-9(11)7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H,10,11)/b7-6+.
What are the key properties of (E)-3-(cyclohexen-1-yl)prop-2-enoic acid?
(E)-3-(cyclohexen-1-yl)prop-2-enoic acid has a molecular weight of 152.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(cyclohexen-1-yl)prop-2-enoic acid is sourced from PubChem (CID 5358361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).