N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide

C11H15N5O — CID 61344717

IUPACN-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide
SMILES[N-]=[N+]=NCCCNC(=O)c1cccn1C1CC1
InChIInChI=1S/C11H15N5O/c12-15-14-7-2-6-13-11(17)10-3-1-8-16(10)9-4-5-9/h1,3,8-9H,2,4-7H2,(H,13,17)
InChIKeyNYKMSOLNLVASHR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.25
Rot. Bonds6

About N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide

N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 61344717) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID61344717
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide
SMILES[N-]=[N+]=NCCCNC(=O)c1cccn1C1CC1
InChIInChI=1S/C11H15N5O/c12-15-14-7-2-6-13-11(17)10-3-1-8-16(10)9-4-5-9/h1,3,8-9H,2,4-7H2,(H,13,17)
InChIKeyNYKMSOLNLVASHR-UHFFFAOYSA-N
XLogP2.25
TPSA82.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
6-[(1-cyclopropylpyrrole-2-carbonyl)amino]hexanoic acid
CID 43639266
N-(3-azidopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61344561
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
N-[2-(4-aminophenoxy)ethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 63237978
1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide
CID 64545760
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106213127
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61342881

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide (CID 61344717) is N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide is [N-]=[N+]=NCCCNC(=O)c1cccn1C1CC1.
What is the InChIKey of N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is NYKMSOLNLVASHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-15-14-7-2-6-13-11(17)10-3-1-8-16(10)9-4-5-9/h1,3,8-9H,2,4-7H2,(H,13,17).
What are the key properties of N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide?
N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 61344717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).