N-pentyl-2,5-dihydropyrrole-1-carboxamide

C10H18N2O — CID 3824227

IUPACN-pentyl-2,5-dihydropyrrole-1-carboxamide
SMILESCCCCCNC(=O)N1CC=CC1
InChIInChI=1S/C10H18N2O/c1-2-3-4-7-11-10(13)12-8-5-6-9-12/h5-6H,2-4,7-9H2,1H3,(H,11,13)
InChIKeyKKICRKLNVCYKTN-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.76
Rot. Bonds4

About N-pentyl-2,5-dihydropyrrole-1-carboxamide

N-pentyl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 3824227) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-pentyl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound NameN-pentyl-2,5-dihydropyrrole-1-carboxamide
PubChem CID3824227
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-pentyl-2,5-dihydropyrrole-1-carboxamide
SMILESCCCCCNC(=O)N1CC=CC1
InChIInChI=1S/C10H18N2O/c1-2-3-4-7-11-10(13)12-8-5-6-9-12/h5-6H,2-4,7-9H2,1H3,(H,11,13)
InChIKeyKKICRKLNVCYKTN-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 55206947
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(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
CID 27255411
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
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N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
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N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
tert-butyl 4-(hexylcarbamoyl)piperazine-1-carboxylate
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N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of N-pentyl-2,5-dihydropyrrole-1-carboxamide (CID 3824227) is N-pentyl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for N-pentyl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for N-pentyl-2,5-dihydropyrrole-1-carboxamide is CCCCCNC(=O)N1CC=CC1.
What is the InChIKey of N-pentyl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is KKICRKLNVCYKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-4-7-11-10(13)12-8-5-6-9-12/h5-6H,2-4,7-9H2,1H3,(H,11,13).
What are the key properties of N-pentyl-2,5-dihydropyrrole-1-carboxamide?
N-pentyl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 3824227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).