N-(2-indol-1-ylethyl)cyclopropanecarboxamide

C14H16N2O — CID 4522702

IUPACN-(2-indol-1-ylethyl)cyclopropanecarboxamide
SMILESO=C(NCCn1ccc2ccccc21)C1CC1
InChIInChI=1S/C14H16N2O/c17-14(12-5-6-12)15-8-10-16-9-7-11-3-1-2-4-13(11)16/h1-4,7,9,12H,5-6,8,10H2,(H,15,17)
InChIKeyKBVPIPRQUIQIHM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.17
Rot. Bonds4

About N-(2-indol-1-ylethyl)cyclopropanecarboxamide

N-(2-indol-1-ylethyl)cyclopropanecarboxamide (PubChem CID 4522702) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)cyclopropanecarboxamide
PubChem CID4522702
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(2-indol-1-ylethyl)cyclopropanecarboxamide
SMILESO=C(NCCn1ccc2ccccc21)C1CC1
InChIInChI=1S/C14H16N2O/c17-14(12-5-6-12)15-8-10-16-9-7-11-3-1-2-4-13(11)16/h1-4,7,9,12H,5-6,8,10H2,(H,15,17)
InChIKeyKBVPIPRQUIQIHM-UHFFFAOYSA-N
XLogP2.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-indol-1-ylethyl)cyclopropanecarboxamide (CID 4522702) is N-(2-indol-1-ylethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-indol-1-ylethyl)cyclopropanecarboxamide is O=C(NCCn1ccc2ccccc21)C1CC1.
What is the InChIKey of N-(2-indol-1-ylethyl)cyclopropanecarboxamide?
The InChIKey is KBVPIPRQUIQIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(12-5-6-12)15-8-10-16-9-7-11-3-1-2-4-13(11)16/h1-4,7,9,12H,5-6,8,10H2,(H,15,17).
What are the key properties of N-(2-indol-1-ylethyl)cyclopropanecarboxamide?
N-(2-indol-1-ylethyl)cyclopropanecarboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 4522702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).