1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid

C9H12O2 — CID 70501382

IUPAC1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid
SMILESC=CCC(=C)C1(C(=O)O)CC1
InChIInChI=1S/C9H12O2/c1-3-4-7(2)9(5-6-9)8(10)11/h3H,1-2,4-6H2,(H,10,11)
InChIKeyOVKCXXPDDLQTJN-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.98
Rot. Bonds4

About 1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid

1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid (PubChem CID 70501382) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid
PubChem CID70501382
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid
SMILESC=CCC(=C)C1(C(=O)O)CC1
InChIInChI=1S/C9H12O2/c1-3-4-7(2)9(5-6-9)8(10)11/h3H,1-2,4-6H2,(H,10,11)
InChIKeyOVKCXXPDDLQTJN-UHFFFAOYSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 151674119
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CID 143093730
4-prop-2-enylbicyclo[2.2.2]octane-1-carboxylic acid
CID 70476769
1-(1-aminocyclopropyl)pent-4-en-2-one
CID 130796920
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CID 174232070
1-(1-aminocyclopentyl)pent-4-en-2-one
CID 116578589
1-propanoylcyclopropane-1-carboxylic acid
CID 89112237
1-(aziridin-1-yl)but-3-en-1-one
CID 170562782
(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 87162043
4,4-bis(hydroxymethyl)cyclohexane-1,1-dicarboxylic acid;cyclohexane
CID 161164365
carbonic acid;4,5-dichloroocta-1,4,7-triene
CID 173029728

Frequently Asked Questions

What is the IUPAC name of 1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid (CID 70501382) is 1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid is C=CCC(=C)C1(C(=O)O)CC1.
What is the InChIKey of 1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is OVKCXXPDDLQTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-4-7(2)9(5-6-9)8(10)11/h3H,1-2,4-6H2,(H,10,11).
What are the key properties of 1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid?
1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 152.19 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,4-dien-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 70501382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).