N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide

C8H11ClN2O2 — CID 130627534

IUPACN-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide
SMILESO=C(CCCl)NC(=O)N1CC=CC1
InChIInChI=1S/C8H11ClN2O2/c9-4-3-7(12)10-8(13)11-5-1-2-6-11/h1-2H,3-6H2,(H,10,12,13)
InChIKeyLCYGEQCGISUMML-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.72
Rot. Bonds2

About N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide

N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 130627534) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide
PubChem CID130627534
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC NameN-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide
SMILESO=C(CCCl)NC(=O)N1CC=CC1
InChIInChI=1S/C8H11ClN2O2/c9-4-3-7(12)10-8(13)11-5-1-2-6-11/h1-2H,3-6H2,(H,10,12,13)
InChIKeyLCYGEQCGISUMML-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.72
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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Related Compounds

N-(3-chloropropanoyl)piperidine-1-carboxamide
CID 43146337
N-(3-chloropropanoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 43620624
N-(3-chloropropanoyl)-1,4-oxazepane-4-carboxamide
CID 62966590
N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide
CID 43146346
N-(3-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412228
4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide
CID 43328946
N,3-dichloropropanamide
CID 12663090
methyl N-(3-chloropropanoyl)carbamate
CID 131133799
3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide
CID 43373716
N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide
CID 83056300
N-bromo-3-chloropropanamide
CID 130655792
4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 28746387

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide (CID 130627534) is N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide is O=C(CCCl)NC(=O)N1CC=CC1.
What is the InChIKey of N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is LCYGEQCGISUMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c9-4-3-7(12)10-8(13)11-5-1-2-6-11/h1-2H,3-6H2,(H,10,12,13).
What are the key properties of N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide?
N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 202.64 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropanoyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 130627534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).