N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide

C9H12N2O2 — CID 6029115

IUPACN-[(Z)-2-methylpropylideneamino]furan-2-carboxamide
SMILESCC(C)/C=N\NC(=O)c1ccco1
InChIInChI=1S/C9H12N2O2/c1-7(2)6-10-11-9(12)8-4-3-5-13-8/h3-7H,1-2H3,(H,11,12)/b10-6-
InChIKeyMKBBQOCZVLIUMH-POHAHGRESA-N
MW180.21 g/mol
LogP1.65
Rot. Bonds3

About N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide

N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide (PubChem CID 6029115) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2-methylpropylideneamino]furan-2-carboxamide
PubChem CID6029115
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-[(Z)-2-methylpropylideneamino]furan-2-carboxamide
SMILESCC(C)/C=N\NC(=O)c1ccco1
InChIInChI=1S/C9H12N2O2/c1-7(2)6-10-11-9(12)8-4-3-5-13-8/h3-7H,1-2H3,(H,11,12)/b10-6-
InChIKeyMKBBQOCZVLIUMH-POHAHGRESA-N
XLogP1.65
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide (CID 6029115) is N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide is CC(C)/C=N\NC(=O)c1ccco1.
What is the InChIKey of N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide?
The InChIKey is MKBBQOCZVLIUMH-POHAHGRESA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(2)6-10-11-9(12)8-4-3-5-13-8/h3-7H,1-2H3,(H,11,12)/b10-6-.
What are the key properties of N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide?
N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6029115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).