N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide

C8H10N2O — CID 146630480

IUPACN-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide
SMILESNC1=CC=CC(NC=O)C=C1
InChIInChI=1S/C8H10N2O/c9-7-2-1-3-8(5-4-7)10-6-11/h1-6,8H,9H2,(H,10,11)
InChIKeyBTWDPGXTNAJBJR-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.07
Rot. Bonds2

About N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide

N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide (PubChem CID 146630480) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide.

Molecular Properties

Compound NameN-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide
PubChem CID146630480
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide
SMILESNC1=CC=CC(NC=O)C=C1
InChIInChI=1S/C8H10N2O/c9-7-2-1-3-8(5-4-7)10-6-11/h1-6,8H,9H2,(H,10,11)
InChIKeyBTWDPGXTNAJBJR-UHFFFAOYSA-N
XLogP0.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide 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-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide?
The IUPAC name of N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide (CID 146630480) is N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide.
What is the SMILES notation for N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide?
The canonical SMILES for N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide is NC1=CC=CC(NC=O)C=C1.
What is the InChIKey of N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide?
The InChIKey is BTWDPGXTNAJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-7-2-1-3-8(5-4-7)10-6-11/h1-6,8H,9H2,(H,10,11).
What are the key properties of N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide?
N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide has a molecular weight of 150.18 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide is sourced from PubChem (CID 146630480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).