N-[3-(1H-indol-3-yl)propylidene]formamide

C12H12N2O — CID 142305584

IUPACN-[3-(1H-indol-3-yl)propylidene]formamide
SMILESO=C/N=C/CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H12N2O/c15-9-13-7-3-4-10-8-14-12-6-2-1-5-11(10)12/h1-2,5-9,14H,3-4H2/b13-7+
InChIKeyFONIRUTVPINEQN-NTUHNPAUSA-N
MW200.24 g/mol
LogP2.33
Rot. Bonds4

About N-[3-(1H-indol-3-yl)propylidene]formamide

N-[3-(1H-indol-3-yl)propylidene]formamide (PubChem CID 142305584) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propylidene]formamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propylidene]formamide
PubChem CID142305584
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-[3-(1H-indol-3-yl)propylidene]formamide
SMILESO=C/N=C/CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H12N2O/c15-9-13-7-3-4-10-8-14-12-6-2-1-5-11(10)12/h1-2,5-9,14H,3-4H2/b13-7+
InChIKeyFONIRUTVPINEQN-NTUHNPAUSA-N
XLogP2.33
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-but-3-enyl-1H-indole
CID 57142098
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine
CID 10826340
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
5-(1H-indol-3-yl)-2-methylpent-2-enoic acid
CID 91332063
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
3-ethyl-1H-indole;methanamine
CID 142222050
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-heptyl-1H-indole
CID 15360907

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propylidene]formamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propylidene]formamide (CID 142305584) is N-[3-(1H-indol-3-yl)propylidene]formamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propylidene]formamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propylidene]formamide is O=C/N=C/CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-(1H-indol-3-yl)propylidene]formamide?
The InChIKey is FONIRUTVPINEQN-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N2O/c15-9-13-7-3-4-10-8-14-12-6-2-1-5-11(10)12/h1-2,5-9,14H,3-4H2/b13-7+.
What are the key properties of N-[3-(1H-indol-3-yl)propylidene]formamide?
N-[3-(1H-indol-3-yl)propylidene]formamide has a molecular weight of 200.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propylidene]formamide is sourced from PubChem (CID 142305584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).