(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid

C11H18O2 — CID 143897565

IUPAC(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
SMILESCCCCC/C=C\C1C[C@@H]1C(=O)O
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-7-9-8-10(9)11(12)13/h6-7,9-10H,2-5,8H2,1H3,(H,12,13)/b7-6-/t9?,10-/m0/s1
InChIKeyCLAFCBZVDFANRH-JUVJXJPRSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds6

About (1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid

(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid (PubChem CID 143897565) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
PubChem CID143897565
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
SMILESCCCCC/C=C\C1C[C@@H]1C(=O)O
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-7-9-8-10(9)11(12)13/h6-7,9-10H,2-5,8H2,1H3,(H,12,13)/b7-6-/t9?,10-/m0/s1
InChIKeyCLAFCBZVDFANRH-JUVJXJPRSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997
1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone
CID 130036272
trans-(1S,2S)-2-[(Z)-hept-1-enyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 70831485
1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one
CID 57076545
(2R,3S)-2-methyl-1-[(Z)-octadec-9-enyl]-5-oxopyrrolidine-3-carboxylic acid
CID 167202161
2-(3-butoxy-3-oxoprop-1-enyl)cyclopropane-1-carboxylic acid
CID 54406379
7-[(1S,2R)-2-hept-1-enylcyclopentyl]octa-5,7-dienoic acid
CID 57259279
cis-(1S,2R)-2-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid
CID 90666534
(2R,3S)-2-methyl-1-[(9Z,12Z)-octadeca-9,12-dienyl]-5-oxopyrrolidine-3-carboxylic acid
CID 167202384
carbonic acid;(Z)-octadec-9-ene
CID 87599003
carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane
CID 70519875
methyl 8-(2-hex-1-enylcyclopropyl)oct-7-enoate
CID 77365865

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid (CID 143897565) is (1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid is CCCCC/C=C\C1C[C@@H]1C(=O)O.
What is the InChIKey of (1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid?
The InChIKey is CLAFCBZVDFANRH-JUVJXJPRSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-6-7-9-8-10(9)11(12)13/h6-7,9-10H,2-5,8H2,1H3,(H,12,13)/b7-6-/t9?,10-/m0/s1.
What are the key properties of (1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid?
(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 143897565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).