N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide

C13H15NO — CID 3058663

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide
SMILESO=CNC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C13H15NO/c15-8-14-13-5-4-11-6-9-2-1-3-10(9)7-12(11)13/h6-8,13H,1-5H2,(H,14,15)
InChIKeyRQUCZYSEJCQSQN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.91
Rot. Bonds2

About N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide (PubChem CID 3058663) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide
PubChem CID3058663
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide
SMILESO=CNC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C13H15NO/c15-8-14-13-5-4-11-6-9-2-1-3-10(9)7-12(11)13/h6-8,13H,1-5H2,(H,14,15)
InChIKeyRQUCZYSEJCQSQN-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1,2,3,5,6,7-hexahydro-s-indacen-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

Related Compounds

n-9h-Fluoren-9-ylformamide
CID 241140
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)acetamide
CID 53268
N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 302326
1,2,3,5,6,7-Hexahydro-s-indacen-1-amine hydrochloride
CID 3047420
1,2,3,5,6,7-Hexahydro-N-methyl-s-indacen-1-amine hydrochloride
CID 3058651
1,2,3,5,6,7-Hexahydro-N-(3-methylbutyl)-s-indacen-1-amine hydrochloride
CID 3058655
1,2,3,5,6,7-Hexahydro-N-(phenylmethyl)-s-indacen-1-amine hydrochloride
CID 3058657
2-Chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide
CID 3058664
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-3-methylbutanamide
CID 3058669
1,2,3,5,6,7-Hexahydro-N-ethyl-s-indacen-1-amine hydrochloride
CID 3058677
N,5-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 55264705
Indan-1-yl-urea 3-formaldehyde
CID 13953789

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide (CID 3058663) is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide is O=CNC1CCc2cc3c(cc21)CCC3.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide?
The InChIKey is RQUCZYSEJCQSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-8-14-13-5-4-11-6-9-2-1-3-10(9)7-12(11)13/h6-8,13H,1-5H2,(H,14,15).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide?
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide has a molecular weight of 201.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)formamide is sourced from PubChem (CID 3058663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).