2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide

C10H16ClNO — CID 4962153

IUPAC2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide
SMILESCCCN(C(=O)CCl)C1=CCCC1
InChIInChI=1S/C10H16ClNO/c1-2-7-12(10(13)8-11)9-5-3-4-6-9/h5H,2-4,6-8H2,1H3
InChIKeyMVHSHVMZLIJLCI-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.53
Rot. Bonds4

About 2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide

2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide (PubChem CID 4962153) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide
PubChem CID4962153
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide
SMILESCCCN(C(=O)CCl)C1=CCCC1
InChIInChI=1S/C10H16ClNO/c1-2-7-12(10(13)8-11)9-5-3-4-6-9/h5H,2-4,6-8H2,1H3
InChIKeyMVHSHVMZLIJLCI-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.53
H-Bond Donors ≤ 50
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-N-(cyclopenten-1-yl)-N-propylacetamide?
The IUPAC name of 2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide (CID 4962153) is 2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide?
The canonical SMILES for 2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide is CCCN(C(=O)CCl)C1=CCCC1.
What is the InChIKey of 2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide?
The InChIKey is MVHSHVMZLIJLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-2-7-12(10(13)8-11)9-5-3-4-6-9/h5H,2-4,6-8H2,1H3.
What are the key properties of 2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide?
2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide has a molecular weight of 201.70 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide is sourced from PubChem (CID 4962153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).