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

C13H20ClNO — CID 13021160

IUPAC2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide
SMILESC=CCN(C(=O)CCl)C1=CC(C)(C)CC1C
InChIInChI=1S/C13H20ClNO/c1-5-6-15(12(16)9-14)11-8-13(3,4)7-10(11)2/h5,8,10H,1,6-7,9H2,2-4H3
InChIKeyXTECRDGYNUGHEP-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.19
Rot. Bonds4

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

2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide (PubChem CID 13021160) 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-(3,3,5-trimethylcyclopenten-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide
PubChem CID13021160
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide
SMILESC=CCN(C(=O)CCl)C1=CC(C)(C)CC1C
InChIInChI=1S/C13H20ClNO/c1-5-6-15(12(16)9-14)11-8-13(3,4)7-10(11)2/h5,8,10H,1,6-7,9H2,2-4H3
InChIKeyXTECRDGYNUGHEP-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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Related Compounds

CID 156640
CID 156640
CID 12490037
CID 12490037
CID 13021158
CID 13021158
CID 13021159
CID 13021159
CID 13021161
CID 13021161
CID 13021162
CID 13021162
CID 13342301
CID 13342301
CID 13342303
CID 13342303
CID 13342304
CID 13342304
CID 13342307
CID 13342307
CID 13342308
CID 13342308
CID 13453683
CID 13453683

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide?
The IUPAC name of 2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide (CID 13021160) is 2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide is C=CCN(C(=O)CCl)C1=CC(C)(C)CC1C.
What is the InChIKey of 2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide?
The InChIKey is XTECRDGYNUGHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-6-15(12(16)9-14)11-8-13(3,4)7-10(11)2/h5,8,10H,1,6-7,9H2,2-4H3.
What are the key properties of 2-chloro-N-prop-2-enyl-N-(3,3,5-trimethylcyclopenten-1-yl)acetamide?
2-chloro-N-prop-2-enyl-N-(3,3,5-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-(3,3,5-trimethylcyclopenten-1-yl)acetamide is sourced from PubChem (CID 13021160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).