N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide

C9H11N3O — CID 4548448

IUPACN-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide
SMILESO=C(NN=Cc1ccc[nH]1)C1CC1
InChIInChI=1S/C9H11N3O/c13-9(7-3-4-7)12-11-6-8-2-1-5-10-8/h1-2,5-7,10H,3-4H2,(H,12,13)
InChIKeyHIQTZCXXJSUODE-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.87
Rot. Bonds3

About N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide

N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide (PubChem CID 4548448) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide
PubChem CID4548448
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide
SMILESO=C(NN=Cc1ccc[nH]1)C1CC1
InChIInChI=1S/C9H11N3O/c13-9(7-3-4-7)12-11-6-8-2-1-5-10-8/h1-2,5-7,10H,3-4H2,(H,12,13)
InChIKeyHIQTZCXXJSUODE-UHFFFAOYSA-N
XLogP0.87
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(1H-Pyrrol-2-ylmethylene)isonicotinohydrazide
CID 135444093
2-Cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)-acrylamide
CID 5767302
tert-butyl N-[[(1Z)-1-pyrrol-2-ylideneethyl]amino]carbamate
CID 135439901
2-phenyl-N'-(1H-pyrrol-2-ylmethylene)acetohydrazide
CID 135644275
2-Phenyl-N'-(1H-pyrrol-2-ylmethylene)cyclopropanecarbohydrazide
CID 135472530
N'-(2-pyridinylmethylene)cyclopropanecarbohydrazide
CID 6872969
N'-[(Z)-(1H-Pyrrol-2-YL)methylidene](tert-butoxy)carbohydrazide
CID 135472711
5-methyl-2-phenyl-4-(1H-pyrrol-2-ylmethylene)-2,4-dihydro-3H-pyrazol-3-one
CID 135490403
Pyrrole, 2-((N-acetyl-N-ethylamino)methyl)-
CID 119986
1H-Pyrrole-2-carboxaldehyde, 2-formylhydrazone
CID 4329924
(4Z)-5-methyl-2-phenyl-4-(1H-pyrrol-2-ylmethylidene)-2,4-dihydro-3H-pyrazol-3-one
CID 135489736
Pyrrole-2-carbaldehyde isonicotinoylhydrazone
CID 351443

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide?
The IUPAC name of N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide (CID 4548448) is N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide?
The canonical SMILES for N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide is O=C(NN=Cc1ccc[nH]1)C1CC1.
What is the InChIKey of N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide?
The InChIKey is HIQTZCXXJSUODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-9(7-3-4-7)12-11-6-8-2-1-5-10-8/h1-2,5-7,10H,3-4H2,(H,12,13).
What are the key properties of N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide?
N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethylideneamino)cyclopropanecarboxamide is sourced from PubChem (CID 4548448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).