N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide

C10H15N5O — CID 61342881

IUPACN-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C10H15N5O/c1-8(2)15-7-3-4-9(15)10(16)12-5-6-13-14-11/h3-4,7-8H,5-6H2,1-2H3,(H,12,16)
InChIKeySAYODDUHNXBUKH-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.11
Rot. Bonds5

About N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide

N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61342881) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61342881
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C10H15N5O/c1-8(2)15-7-3-4-9(15)10(16)12-5-6-13-14-11/h3-4,7-8H,5-6H2,1-2H3,(H,12,16)
InChIKeySAYODDUHNXBUKH-UHFFFAOYSA-N
XLogP2.11
TPSA82.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.11
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

N-(3-azidopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61344561
1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 55100628
N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62500385
2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 66165599
N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 136529784
N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65231406
N-(2-azidoethyl)-2,6-dimethylbenzamide
CID 103845737
N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61414231
N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 61344717
N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 54903835
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
N-(2-azidoethyl)-4-ethylbenzamide
CID 55136940

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 61342881) is N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NCCN=[N+]=[N-].
What is the InChIKey of N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is SAYODDUHNXBUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8(2)15-7-3-4-9(15)10(16)12-5-6-13-14-11/h3-4,7-8H,5-6H2,1-2H3,(H,12,16).
What are the key properties of N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61342881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).