1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine

C15H17N3 — CID 23518962

IUPAC1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine
SMILES[C-]#[N+]c1ccc2[nH]cc(C3CC3CN(C)C)c2c1
InChIInChI=1S/C15H17N3/c1-16-11-4-5-15-13(7-11)14(8-17-15)12-6-10(12)9-18(2)3/h4-5,7-8,10,12,17H,6,9H2,2-3H3
InChIKeyVRVRZXYZXVGQOP-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.38
Rot. Bonds3

About 1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine

1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine (PubChem CID 23518962) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine
PubChem CID23518962
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine
SMILES[C-]#[N+]c1ccc2[nH]cc(C3CC3CN(C)C)c2c1
InChIInChI=1S/C15H17N3/c1-16-11-4-5-15-13(7-11)14(8-17-15)12-6-10(12)9-18(2)3/h4-5,7-8,10,12,17H,6,9H2,2-3H3
InChIKeyVRVRZXYZXVGQOP-UHFFFAOYSA-N
XLogP3.38
TPSA23.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine (CID 23518962) is 1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine is [C-]#[N+]c1ccc2[nH]cc(C3CC3CN(C)C)c2c1.
What is the InChIKey of 1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine?
The InChIKey is VRVRZXYZXVGQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-16-11-4-5-15-13(7-11)14(8-17-15)12-6-10(12)9-18(2)3/h4-5,7-8,10,12,17H,6,9H2,2-3H3.
What are the key properties of 1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine?
1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine has a molecular weight of 239.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 23518962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).