1-(3-chloropropyl)cyclopropane-1-carboxylic acid

C7H11ClO2 — CID 130514627

IUPAC1-(3-chloropropyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCCCl)CC1
InChIInChI=1S/C7H11ClO2/c8-5-1-2-7(3-4-7)6(9)10/h1-5H2,(H,9,10)
InChIKeyMQDFVEXJNQDBDH-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.87
Rot. Bonds4

About 1-(3-chloropropyl)cyclopropane-1-carboxylic acid

1-(3-chloropropyl)cyclopropane-1-carboxylic acid (PubChem CID 130514627) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is 1-(3-chloropropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloropropyl)cyclopropane-1-carboxylic acid
PubChem CID130514627
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name1-(3-chloropropyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCCCl)CC1
InChIInChI=1S/C7H11ClO2/c8-5-1-2-7(3-4-7)6(9)10/h1-5H2,(H,9,10)
InChIKeyMQDFVEXJNQDBDH-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
CID 66633265
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[12-(1-aminocyclopropyl)dodecyl]cyclopropane-1-carboxylic acid
CID 66828639
1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid
CID 150208157
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087
1-(3-bromopropyl)cyclobutane-1-carboxylic acid
CID 18406028
1-(4-chlorobutyl)cyclopentane-1-carboxylic acid;1-(4-methoxybutyl)cyclopentane-1-carboxylic acid;methyl 1-(4-chlorobutyl)cyclopentane-1-carboxylate
CID 162075070
1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid
CID 153371110
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-chloropropyl)cyclopropane-1-carboxylic acid (CID 130514627) is 1-(3-chloropropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloropropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloropropyl)cyclopropane-1-carboxylic acid is O=C(O)C1(CCCCl)CC1.
What is the InChIKey of 1-(3-chloropropyl)cyclopropane-1-carboxylic acid?
The InChIKey is MQDFVEXJNQDBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c8-5-1-2-7(3-4-7)6(9)10/h1-5H2,(H,9,10).
What are the key properties of 1-(3-chloropropyl)cyclopropane-1-carboxylic acid?
1-(3-chloropropyl)cyclopropane-1-carboxylic acid has a molecular weight of 162.62 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130514627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).