3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide

C9H13ClN2O — CID 115162634

IUPAC3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
SMILESO=C(CCCl)NCCc1cc[nH]c1
InChIInChI=1S/C9H13ClN2O/c10-4-1-9(13)12-6-3-8-2-5-11-7-8/h2,5,7,11H,1,3-4,6H2,(H,12,13)
InChIKeyRUVDFNXQSBOVHE-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.30
Rot. Bonds5

About 3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide

3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide (PubChem CID 115162634) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
PubChem CID115162634
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
SMILESO=C(CCCl)NCCc1cc[nH]c1
InChIInChI=1S/C9H13ClN2O/c10-4-1-9(13)12-6-3-8-2-5-11-7-8/h2,5,7,11H,1,3-4,6H2,(H,12,13)
InChIKeyRUVDFNXQSBOVHE-UHFFFAOYSA-N
XLogP1.30
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115176543
2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789402
N-butyl-4-(1H-pyrrol-3-yl)butanamide
CID 166152898
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 110789384
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162633
2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789370
3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 115162612
N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide
CID 115159020

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide (CID 115162634) is 3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide is O=C(CCCl)NCCc1cc[nH]c1.
What is the InChIKey of 3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The InChIKey is RUVDFNXQSBOVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-4-1-9(13)12-6-3-8-2-5-11-7-8/h2,5,7,11H,1,3-4,6H2,(H,12,13).
What are the key properties of 3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide has a molecular weight of 200.67 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide is sourced from PubChem (CID 115162634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).