N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide

C9H13ClN2O2 — CID 43145958

IUPACN-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide
SMILESC=CCN(CC=C)C(=O)NC(=O)CCl
InChIInChI=1S/C9H13ClN2O2/c1-3-5-12(6-4-2)9(14)11-8(13)7-10/h3-4H,1-2,5-7H2,(H,11,13,14)
InChIKeyNRJVWOAAYHJWQN-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.14
Rot. Bonds5

About N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide

N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide (PubChem CID 43145958) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide
PubChem CID43145958
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide
SMILESC=CCN(CC=C)C(=O)NC(=O)CCl
InChIInChI=1S/C9H13ClN2O2/c1-3-5-12(6-4-2)9(14)11-8(13)7-10/h3-4H,1-2,5-7H2,(H,11,13,14)
InChIKeyNRJVWOAAYHJWQN-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide?
The IUPAC name of N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide (CID 43145958) is N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide.
What is the SMILES notation for N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide?
The canonical SMILES for N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide is C=CCN(CC=C)C(=O)NC(=O)CCl.
What is the InChIKey of N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide?
The InChIKey is NRJVWOAAYHJWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-3-5-12(6-4-2)9(14)11-8(13)7-10/h3-4H,1-2,5-7H2,(H,11,13,14).
What are the key properties of N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide?
N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide has a molecular weight of 216.67 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(prop-2-enyl)carbamoyl]-2-chloroacetamide is sourced from PubChem (CID 43145958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).