3-cyclohexylprop-2-enoic acid;hydrochloride

C9H15ClO2 — CID 174517164

IUPAC3-cyclohexylprop-2-enoic acid;hydrochloride
SMILESCl.O=C(O)C=CC1CCCCC1
InChIInChI=1S/C9H14O2.ClH/c10-9(11)7-6-8-4-2-1-3-5-8;/h6-8H,1-5H2,(H,10,11);1H
InChIKeyAGUBQDDXQGCWKQ-UHFFFAOYSA-N
MW190.67 g/mol
LogP2.63
Rot. Bonds2

About 3-cyclohexylprop-2-enoic acid;hydrochloride

3-cyclohexylprop-2-enoic acid;hydrochloride (PubChem CID 174517164) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is 3-cyclohexylprop-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name3-cyclohexylprop-2-enoic acid;hydrochloride
PubChem CID174517164
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name3-cyclohexylprop-2-enoic acid;hydrochloride
SMILESCl.O=C(O)C=CC1CCCCC1
InChIInChI=1S/C9H14O2.ClH/c10-9(11)7-6-8-4-2-1-3-5-8;/h6-8H,1-5H2,(H,10,11);1H
InChIKeyAGUBQDDXQGCWKQ-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.63
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 3-cyclohexylprop-2-enoic acid;hydrochloride?
The IUPAC name of 3-cyclohexylprop-2-enoic acid;hydrochloride (CID 174517164) is 3-cyclohexylprop-2-enoic acid;hydrochloride.
What is the SMILES notation for 3-cyclohexylprop-2-enoic acid;hydrochloride?
The canonical SMILES for 3-cyclohexylprop-2-enoic acid;hydrochloride is Cl.O=C(O)C=CC1CCCCC1.
What is the InChIKey of 3-cyclohexylprop-2-enoic acid;hydrochloride?
The InChIKey is AGUBQDDXQGCWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.ClH/c10-9(11)7-6-8-4-2-1-3-5-8;/h6-8H,1-5H2,(H,10,11);1H.
What are the key properties of 3-cyclohexylprop-2-enoic acid;hydrochloride?
3-cyclohexylprop-2-enoic acid;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylprop-2-enoic acid;hydrochloride is sourced from PubChem (CID 174517164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).