N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide

C9H9N3O — CID 130618816

IUPACN-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C9H9N3O/c10-6-9(3-4-9)12-8(13)7-2-1-5-11-7/h1-2,5,11H,3-4H2,(H,12,13)
InChIKeyDBNLUWBSROPXOZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.80
Rot. Bonds2

About N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide

N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide (PubChem CID 130618816) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide
PubChem CID130618816
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C9H9N3O/c10-6-9(3-4-9)12-8(13)7-2-1-5-11-7/h1-2,5,11H,3-4H2,(H,12,13)
InChIKeyDBNLUWBSROPXOZ-UHFFFAOYSA-N
XLogP0.80
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 160579083
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CID 60717123
N-(1-cyanocyclobutyl)-4-iodobenzamide
CID 55137573
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786719
N-(1-cyanocyclooctyl)furan-2-carboxamide
CID 54904517
N-(1-cyanocyclobutyl)-3-iodobenzamide
CID 61400585
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
2-amino-N-(1-cyanocyclohexyl)benzamide
CID 110474346
indene-1,2,3-trione;1H-pyrrole-2-carbohydrazide;hydrate
CID 23187753
4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide
CID 141368951
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide (CID 130618816) is N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide is N#CC1(NC(=O)c2ccc[nH]2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is DBNLUWBSROPXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-6-9(3-4-9)12-8(13)7-2-1-5-11-7/h1-2,5,11H,3-4H2,(H,12,13).
What are the key properties of N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide?
N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 130618816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).