5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole

C17H19N3 — CID 23518993

IUPAC5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole
SMILES[C-]#[N+]c1ccc2[nH]cc(C3CC3CN3CCCC3)c2c1
InChIInChI=1S/C17H19N3/c1-18-13-4-5-17-15(9-13)16(10-19-17)14-8-12(14)11-20-6-2-3-7-20/h4-5,9-10,12,14,19H,2-3,6-8,11H2
InChIKeyQLBGVZYMQFXFFC-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.92
Rot. Bonds3

About 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole

5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole (PubChem CID 23518993) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole.

Molecular Properties

Compound Name5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole
PubChem CID23518993
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole
SMILES[C-]#[N+]c1ccc2[nH]cc(C3CC3CN3CCCC3)c2c1
InChIInChI=1S/C17H19N3/c1-18-13-4-5-17-15(9-13)16(10-19-17)14-8-12(14)11-20-6-2-3-7-20/h4-5,9-10,12,14,19H,2-3,6-8,11H2
InChIKeyQLBGVZYMQFXFFC-UHFFFAOYSA-N
XLogP3.92
TPSA23.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole 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

1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine
CID 23518962
N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
CID 23519079
N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
CID 23519072
1-[(1S,2S)-2-(5-isocyano-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine
CID 58697553
N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropan-1-amine
CID 23519053
N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 23519043
ethyl N-[2-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate;methane
CID 158058751
propan-2-yl N-[3-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]propyl]carbamate
CID 23519015
3-(5-isocyano-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 123229041
4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole
CID 150968246
N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine
CID 142174206
N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine
CID 162773393

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole?
The IUPAC name of 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole (CID 23518993) is 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole.
What is the SMILES notation for 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole?
The canonical SMILES for 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole is [C-]#[N+]c1ccc2[nH]cc(C3CC3CN3CCCC3)c2c1.
What is the InChIKey of 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole?
The InChIKey is QLBGVZYMQFXFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-18-13-4-5-17-15(9-13)16(10-19-17)14-8-12(14)11-20-6-2-3-7-20/h4-5,9-10,12,14,19H,2-3,6-8,11H2.
What are the key properties of 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole?
5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole has a molecular weight of 265.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-3-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]-1H-indole is sourced from PubChem (CID 23518993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).