N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide

C9H13N3O — CID 45123007

IUPACN-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide
SMILESCCC(=O)N/N=C\c1cccn1C
InChIInChI=1S/C9H13N3O/c1-3-9(13)11-10-7-8-5-4-6-12(8)2/h4-7H,3H2,1-2H3,(H,11,13)/b10-7-
InChIKeyWMXWLYZFNRTHMN-YFHOEESVSA-N
MW179.22 g/mol
LogP0.89
Rot. Bonds3

About N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide

N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide (PubChem CID 45123007) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide.

Molecular Properties

Compound NameN-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide
PubChem CID45123007
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide
SMILESCCC(=O)N/N=C\c1cccn1C
InChIInChI=1S/C9H13N3O/c1-3-9(13)11-10-7-8-5-4-6-12(8)2/h4-7H,3H2,1-2H3,(H,11,13)/b10-7-
InChIKeyWMXWLYZFNRTHMN-YFHOEESVSA-N
XLogP0.89
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(1-methylpyrrol-2-yl)methylideneamino]carbamic acid
CID 23220001
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6862500
2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5405124
2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5398283
1-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-phenylurea
CID 6450773
2-(3-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 947703
2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 42995448
2-(benzimidazol-1-yl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6861925
2-(benzotriazol-1-yl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6897555
phenyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate
CID 123762315
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide
CID 119082829

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide?
The IUPAC name of N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide (CID 45123007) is N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide.
What is the SMILES notation for N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide?
The canonical SMILES for N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide is CCC(=O)N/N=C\c1cccn1C.
What is the InChIKey of N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide?
The InChIKey is WMXWLYZFNRTHMN-YFHOEESVSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-9(13)11-10-7-8-5-4-6-12(8)2/h4-7H,3H2,1-2H3,(H,11,13)/b10-7-.
What are the key properties of N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide?
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide has a molecular weight of 179.22 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide is sourced from PubChem (CID 45123007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).