N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide

C7H9N3O — CID 119082829

IUPACN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide
SMILESCn1cccc1/C=N/NC=O
InChIInChI=1S/C7H9N3O/c1-10-4-2-3-7(10)5-8-9-6-11/h2-6H,1H3,(H,9,11)/b8-5+
InChIKeyXKFCGURPGGTWNR-VMPITWQZSA-N
MW151.17 g/mol
LogP0.10
Rot. Bonds3

About N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide

N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide (PubChem CID 119082829) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide.

Molecular Properties

Compound NameN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide
PubChem CID119082829
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC NameN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide
SMILESCn1cccc1/C=N/NC=O
InChIInChI=1S/C7H9N3O/c1-10-4-2-3-7(10)5-8-9-6-11/h2-6H,1H3,(H,9,11)/b8-5+
InChIKeyXKFCGURPGGTWNR-VMPITWQZSA-N
XLogP0.10
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide?
The IUPAC name of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide (CID 119082829) is N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide.
What is the SMILES notation for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide?
The canonical SMILES for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide is Cn1cccc1/C=N/NC=O.
What is the InChIKey of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide?
The InChIKey is XKFCGURPGGTWNR-VMPITWQZSA-N. The full InChI is InChI=1S/C7H9N3O/c1-10-4-2-3-7(10)5-8-9-6-11/h2-6H,1H3,(H,9,11)/b8-5+.
What are the key properties of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide?
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide has a molecular weight of 151.17 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide is sourced from PubChem (CID 119082829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).