4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide

C10H15ClN2O — CID 153032885

IUPAC4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide
SMILESCC1=C(N(C)C(=O)CCCCl)CN=C1
InChIInChI=1S/C10H15ClN2O/c1-8-6-12-7-9(8)13(2)10(14)4-3-5-11/h6H,3-5,7H2,1-2H3
InChIKeyVEDQNQYBXYAYBO-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.82
Rot. Bonds4

About 4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide

4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide (PubChem CID 153032885) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide
PubChem CID153032885
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide
SMILESCC1=C(N(C)C(=O)CCCCl)CN=C1
InChIInChI=1S/C10H15ClN2O/c1-8-6-12-7-9(8)13(2)10(14)4-3-5-11/h6H,3-5,7H2,1-2H3
InChIKeyVEDQNQYBXYAYBO-UHFFFAOYSA-N
XLogP1.82
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide?
The IUPAC name of 4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide (CID 153032885) is 4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide?
The canonical SMILES for 4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide is CC1=C(N(C)C(=O)CCCCl)CN=C1.
What is the InChIKey of 4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide?
The InChIKey is VEDQNQYBXYAYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-8-6-12-7-9(8)13(2)10(14)4-3-5-11/h6H,3-5,7H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide?
4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide has a molecular weight of 214.70 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(4-methyl-2H-pyrrol-3-yl)butanamide is sourced from PubChem (CID 153032885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).