N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide

C10H18ClNO — CID 81430946

IUPACN-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NC/C=C/CCl
InChIInChI=1S/C10H18ClNO/c1-8(2)9(3)10(13)12-7-5-4-6-11/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)/b5-4+
InChIKeyKORNDGWBOAKGON-SNAWJCMRSA-N
MW203.71 g/mol
LogP2.19
Rot. Bonds5

About N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide

N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide (PubChem CID 81430946) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide
PubChem CID81430946
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NC/C=C/CCl
InChIInChI=1S/C10H18ClNO/c1-8(2)9(3)10(13)12-7-5-4-6-11/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)/b5-4+
InChIKeyKORNDGWBOAKGON-SNAWJCMRSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.19
H-Bond Donors ≤ 51
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 N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide (CID 81430946) is N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NC/C=C/CCl.
What is the InChIKey of N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide?
The InChIKey is KORNDGWBOAKGON-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(2)9(3)10(13)12-7-5-4-6-11/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)/b5-4+.
What are the key properties of N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide?
N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide has a molecular weight of 203.71 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 81430946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).