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

C13H20ClNO — CID 13021161

IUPAC2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide
SMILESC=CCN(C(=O)CCl)C1=CC(C)CC1(C)C
InChIInChI=1S/C13H20ClNO/c1-5-6-15(12(16)9-14)11-7-10(2)8-13(11,3)4/h5,7,10H,1,6,8-9H2,2-4H3
InChIKeyBDXPZULSVOSHLJ-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.19
Rot. Bonds4

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

2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide (PubChem CID 13021161) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide
PubChem CID13021161
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide
SMILESC=CCN(C(=O)CCl)C1=CC(C)CC1(C)C
InChIInChI=1S/C13H20ClNO/c1-5-6-15(12(16)9-14)11-7-10(2)8-13(11,3)4/h5,7,10H,1,6,8-9H2,2-4H3
InChIKeyBDXPZULSVOSHLJ-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.19
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-(3,5,5-trimethylcyclopenten-1-yl)acetamide?
The IUPAC name of 2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide (CID 13021161) is 2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide is C=CCN(C(=O)CCl)C1=CC(C)CC1(C)C.
What is the InChIKey of 2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide?
The InChIKey is BDXPZULSVOSHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-6-15(12(16)9-14)11-7-10(2)8-13(11,3)4/h5,7,10H,1,6,8-9H2,2-4H3.
What are the key properties of 2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide?
2-chloro-N-prop-2-enyl-N-(3,5,5-trimethylcyclopenten-1-yl)acetamide has a molecular weight of 241.76 g/mol, XLogP of 3.19, 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-(3,5,5-trimethylcyclopenten-1-yl)acetamide is sourced from PubChem (CID 13021161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).