1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide

C14H18N2O — CID 115970025

IUPAC1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide
SMILESC#CCC(CC)NC(=O)c1cccn1C1CC1
InChIInChI=1S/C14H18N2O/c1-3-6-11(4-2)15-14(17)13-7-5-10-16(13)12-8-9-12/h1,5,7,10-12H,4,6,8-9H2,2H3,(H,15,17)
InChIKeyMKCGPLMARTXKRN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.35
Rot. Bonds5

About 1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide

1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide (PubChem CID 115970025) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide
PubChem CID115970025
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide
SMILESC#CCC(CC)NC(=O)c1cccn1C1CC1
InChIInChI=1S/C14H18N2O/c1-3-6-11(4-2)15-14(17)13-7-5-10-16(13)12-8-9-12/h1,5,7,10-12H,4,6,8-9H2,2H3,(H,15,17)
InChIKeyMKCGPLMARTXKRN-UHFFFAOYSA-N
XLogP2.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid
CID 43639324
1-cyclopropyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrole-2-carboxamide
CID 107861229
1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 110008236
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81076810
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one
CID 91090923
(2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 61144073
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703725
2-amino-N-hex-5-yn-3-ylbenzamide
CID 115976433
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide (CID 115970025) is 1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide is C#CCC(CC)NC(=O)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide?
The InChIKey is MKCGPLMARTXKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-6-11(4-2)15-14(17)13-7-5-10-16(13)12-8-9-12/h1,5,7,10-12H,4,6,8-9H2,2H3,(H,15,17).
What are the key properties of 1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide?
1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115970025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).