2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide

C15H24ClNO — CID 70518850

IUPAC2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide
SMILESC=C1C=C(C(Cl)C(=O)NCC(C)C)CC(C)(C)C1
InChIInChI=1S/C15H24ClNO/c1-10(2)9-17-14(18)13(16)12-6-11(3)7-15(4,5)8-12/h6,10,13H,3,7-9H2,1-2,4-5H3,(H,17,18)
InChIKeyXKPWLMXSWVVBEI-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.67
Rot. Bonds4

About 2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide

2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 70518850) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID70518850
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide
SMILESC=C1C=C(C(Cl)C(=O)NCC(C)C)CC(C)(C)C1
InChIInChI=1S/C15H24ClNO/c1-10(2)9-17-14(18)13(16)12-6-11(3)7-15(4,5)8-12/h6,10,13H,3,7-9H2,1-2,4-5H3,(H,17,18)
InChIKeyXKPWLMXSWVVBEI-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.67
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 2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide (CID 70518850) is 2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide is C=C1C=C(C(Cl)C(=O)NCC(C)C)CC(C)(C)C1.
What is the InChIKey of 2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is XKPWLMXSWVVBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-10(2)9-17-14(18)13(16)12-6-11(3)7-15(4,5)8-12/h6,10,13H,3,7-9H2,1-2,4-5H3,(H,17,18).
What are the key properties of 2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide?
2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 269.82 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 70518850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).