N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide

C14H15N3O2 — CID 146087723

IUPACN-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
SMILESC=CC(=O)NCCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H15N3O2/c1-2-13(18)15-7-8-16-14(19)12-9-10-5-3-4-6-11(10)17-12/h2-6,9,17H,1,7-8H2,(H,15,18)(H,16,19)
InChIKeyXETVWBSGQPZLMU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.20
Rot. Bonds5

About N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide

N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide (PubChem CID 146087723) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
PubChem CID146087723
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
SMILESC=CC(=O)NCCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H15N3O2/c1-2-13(18)15-7-8-16-14(19)12-9-10-5-3-4-6-11(10)17-12/h2-6,9,17H,1,7-8H2,(H,15,18)(H,16,19)
InChIKeyXETVWBSGQPZLMU-UHFFFAOYSA-N
XLogP1.20
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 29135128
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-(2-benzylsulfanylethyl)-1H-indole-2-carboxamide
CID 9470319
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700

Frequently Asked Questions

What is the IUPAC name of N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide (CID 146087723) is N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide is C=CC(=O)NCCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide?
The InChIKey is XETVWBSGQPZLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-13(18)15-7-8-16-14(19)12-9-10-5-3-4-6-11(10)17-12/h2-6,9,17H,1,7-8H2,(H,15,18)(H,16,19).
What are the key properties of N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide?
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 146087723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).