1-(2-methylpropyl)cyclopropane-1-carbonyl chloride

C8H13ClO — CID 139221866

IUPAC1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
SMILESCC(C)CC1(C(=O)Cl)CC1
InChIInChI=1S/C8H13ClO/c1-6(2)5-8(3-4-8)7(9)10/h6H,3-5H2,1-2H3
InChIKeyFLSCJWLVYTUHDW-UHFFFAOYSA-N
MW160.64 g/mol
LogP2.58
Rot. Bonds3

About 1-(2-methylpropyl)cyclopropane-1-carbonyl chloride

1-(2-methylpropyl)cyclopropane-1-carbonyl chloride (PubChem CID 139221866) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 1-(2-methylpropyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
PubChem CID139221866
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
SMILESCC(C)CC1(C(=O)Cl)CC1
InChIInChI=1S/C8H13ClO/c1-6(2)5-8(3-4-8)7(9)10/h6H,3-5H2,1-2H3
InChIKeyFLSCJWLVYTUHDW-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of 1-(2-methylpropyl)cyclopropane-1-carbonyl chloride (CID 139221866) is 1-(2-methylpropyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1-(2-methylpropyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for 1-(2-methylpropyl)cyclopropane-1-carbonyl chloride is CC(C)CC1(C(=O)Cl)CC1.
What is the InChIKey of 1-(2-methylpropyl)cyclopropane-1-carbonyl chloride?
The InChIKey is FLSCJWLVYTUHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO/c1-6(2)5-8(3-4-8)7(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)cyclopropane-1-carbonyl chloride?
1-(2-methylpropyl)cyclopropane-1-carbonyl chloride has a molecular weight of 160.64 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 139221866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).