4-chloro-N-(2,2-dimethylcyclopropyl)butanamide

C9H16ClNO — CID 63308432

IUPAC4-chloro-N-(2,2-dimethylcyclopropyl)butanamide
SMILESCC1(C)CC1NC(=O)CCCCl
InChIInChI=1S/C9H16ClNO/c1-9(2)6-7(9)11-8(12)4-3-5-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyUEFJLQOCNPVJOG-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.92
Rot. Bonds4

About 4-chloro-N-(2,2-dimethylcyclopropyl)butanamide

4-chloro-N-(2,2-dimethylcyclopropyl)butanamide (PubChem CID 63308432) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylcyclopropyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethylcyclopropyl)butanamide
PubChem CID63308432
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name4-chloro-N-(2,2-dimethylcyclopropyl)butanamide
SMILESCC1(C)CC1NC(=O)CCCCl
InChIInChI=1S/C9H16ClNO/c1-9(2)6-7(9)11-8(12)4-3-5-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyUEFJLQOCNPVJOG-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethylcyclopropyl)butanamide?
The IUPAC name of 4-chloro-N-(2,2-dimethylcyclopropyl)butanamide (CID 63308432) is 4-chloro-N-(2,2-dimethylcyclopropyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2,2-dimethylcyclopropyl)butanamide?
The canonical SMILES for 4-chloro-N-(2,2-dimethylcyclopropyl)butanamide is CC1(C)CC1NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(2,2-dimethylcyclopropyl)butanamide?
The InChIKey is UEFJLQOCNPVJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-9(2)6-7(9)11-8(12)4-3-5-10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-chloro-N-(2,2-dimethylcyclopropyl)butanamide?
4-chloro-N-(2,2-dimethylcyclopropyl)butanamide has a molecular weight of 189.69 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethylcyclopropyl)butanamide is sourced from PubChem (CID 63308432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).