1-propan-2-ylcyclopropane-1-carbonyl chloride

C7H11ClO — CID 139221862

IUPAC1-propan-2-ylcyclopropane-1-carbonyl chloride
SMILESCC(C)C1(C(=O)Cl)CC1
InChIInChI=1S/C7H11ClO/c1-5(2)7(3-4-7)6(8)9/h5H,3-4H2,1-2H3
InChIKeyHVJNTQXTJRICNP-UHFFFAOYSA-N
MW146.62 g/mol
LogP2.19
Rot. Bonds2

About 1-propan-2-ylcyclopropane-1-carbonyl chloride

1-propan-2-ylcyclopropane-1-carbonyl chloride (PubChem CID 139221862) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 1-propan-2-ylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1-propan-2-ylcyclopropane-1-carbonyl chloride
PubChem CID139221862
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name1-propan-2-ylcyclopropane-1-carbonyl chloride
SMILESCC(C)C1(C(=O)Cl)CC1
InChIInChI=1S/C7H11ClO/c1-5(2)7(3-4-7)6(8)9/h5H,3-4H2,1-2H3
InChIKeyHVJNTQXTJRICNP-UHFFFAOYSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
N-cyclopropyl-1-propan-2-ylcyclopropane-1-carboxamide
CID 130695235
1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
CID 139221866
(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
CID 58584463
2-methyl-1-(1-propan-2-ylcyclopropyl)propane-1-thione
CID 130384249
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
potassium;hydride;1-propan-2-ylcyclohexane-1-carboxamide
CID 173332130
2-methyl-N-(1-methylcyclopropyl)propanamide;1-propan-2-ylcyclopropane-1-carboxylic acid
CID 158194042
dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate
CID 91799029
4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid
CID 119352836
3-propan-2-yloxolane-3-carboxamide
CID 170386865

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylcyclopropane-1-carbonyl chloride?
The IUPAC name of 1-propan-2-ylcyclopropane-1-carbonyl chloride (CID 139221862) is 1-propan-2-ylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1-propan-2-ylcyclopropane-1-carbonyl chloride?
The canonical SMILES for 1-propan-2-ylcyclopropane-1-carbonyl chloride is CC(C)C1(C(=O)Cl)CC1.
What is the InChIKey of 1-propan-2-ylcyclopropane-1-carbonyl chloride?
The InChIKey is HVJNTQXTJRICNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c1-5(2)7(3-4-7)6(8)9/h5H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-ylcyclopropane-1-carbonyl chloride?
1-propan-2-ylcyclopropane-1-carbonyl chloride has a molecular weight of 146.62 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 139221862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).