2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide

C15H24ClNO — CID 13342301

IUPAC2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide
SMILESC=CCN(C(=O)CCl)C1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H24ClNO/c1-6-7-17(13(18)10-16)12-8-14(2,3)11-15(4,5)9-12/h6,8H,1,7,9-11H2,2-5H3
InChIKeySVCHDNDUCAPQJX-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide

2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide (PubChem CID 13342301) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide
PubChem CID13342301
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide
SMILESC=CCN(C(=O)CCl)C1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H24ClNO/c1-6-7-17(13(18)10-16)12-8-14(2,3)11-15(4,5)9-12/h6,8H,1,7,9-11H2,2-5H3
InChIKeySVCHDNDUCAPQJX-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide (CID 13342301) is 2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide is C=CCN(C(=O)CCl)C1=CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The InChIKey is SVCHDNDUCAPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-6-7-17(13(18)10-16)12-8-14(2,3)11-15(4,5)9-12/h6,8H,1,7,9-11H2,2-5H3.
What are the key properties of 2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide has a molecular weight of 269.82 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-prop-2-enyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 13342301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).