5-cyclopropylpent-2-enoic acid

C8H12O2 — CID 150153050

IUPAC5-cyclopropylpent-2-enoic acid
SMILESO=C(O)C=CCCC1CC1
InChIInChI=1S/C8H12O2/c9-8(10)4-2-1-3-7-5-6-7/h2,4,7H,1,3,5-6H2,(H,9,10)
InChIKeyFFQSPFIDOALSMJ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds4

About 5-cyclopropylpent-2-enoic acid

5-cyclopropylpent-2-enoic acid (PubChem CID 150153050) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-cyclopropylpent-2-enoic acid.

Molecular Properties

Compound Name5-cyclopropylpent-2-enoic acid
PubChem CID150153050
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-cyclopropylpent-2-enoic acid
SMILESO=C(O)C=CCCC1CC1
InChIInChI=1S/C8H12O2/c9-8(10)4-2-1-3-7-5-6-7/h2,4,7H,1,3,5-6H2,(H,9,10)
InChIKeyFFQSPFIDOALSMJ-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.82
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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Related Compounds

(E)-5-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]pent-2-enoic acid
CID 67643873
(Z)-5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid
CID 67919744
5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid
CID 54556243
(E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one
CID 13413828
(E)-hex-2-enoic acid
CID 5282707
6-(oxiran-2-yl)hex-2-enoic acid
CID 173009974
5-bromopent-2-enoic acid
CID 54205255
(E)-5-bromopent-2-enoic acid
CID 19912723
docosakis(hex-2-enoic acid);phosphane
CID 174896095
(E)-6,6,6-trifluorohex-2-enoic acid
CID 87397076
hepta-2,5-dienedioic acid
CID 74058962
(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid
CID 21158584

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylpent-2-enoic acid?
The IUPAC name of 5-cyclopropylpent-2-enoic acid (CID 150153050) is 5-cyclopropylpent-2-enoic acid.
What is the SMILES notation for 5-cyclopropylpent-2-enoic acid?
The canonical SMILES for 5-cyclopropylpent-2-enoic acid is O=C(O)C=CCCC1CC1.
What is the InChIKey of 5-cyclopropylpent-2-enoic acid?
The InChIKey is FFQSPFIDOALSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-8(10)4-2-1-3-7-5-6-7/h2,4,7H,1,3,5-6H2,(H,9,10).
What are the key properties of 5-cyclopropylpent-2-enoic acid?
5-cyclopropylpent-2-enoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylpent-2-enoic acid is sourced from PubChem (CID 150153050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).