1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide

C14H17N3O2 — CID 119745257

IUPAC1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C14H17N3O2/c15-14(5-6-14)13(19)16-7-8-17-11-4-2-1-3-10(11)9-12(17)18/h1-4H,5-9,15H2,(H,16,19)
InChIKeyDTOKNXNXQFQUIN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.18
Rot. Bonds4

About 1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 119745257) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID119745257
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C14H17N3O2/c15-14(5-6-14)13(19)16-7-8-17-11-4-2-1-3-10(11)9-12(17)18/h1-4H,5-9,15H2,(H,16,19)
InChIKeyDTOKNXNXQFQUIN-UHFFFAOYSA-N
XLogP0.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide (CID 119745257) is 1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide is NC1(C(=O)NCCN2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is DTOKNXNXQFQUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-14(5-6-14)13(19)16-7-8-17-11-4-2-1-3-10(11)9-12(17)18/h1-4H,5-9,15H2,(H,16,19).
What are the key properties of 1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119745257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).