1-ethyl-N-prop-2-ynylindole-2-carboxamide

C14H14N2O — CID 47335095

IUPAC1-ethyl-N-prop-2-ynylindole-2-carboxamide
SMILESC#CCNC(=O)c1cc2ccccc2n1CC
InChIInChI=1S/C14H14N2O/c1-3-9-15-14(17)13-10-11-7-5-6-8-12(11)16(13)4-2/h1,5-8,10H,4,9H2,2H3,(H,15,17)
InChIKeyOIRIZKDJVDNZNK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.02
Rot. Bonds3

About 1-ethyl-N-prop-2-ynylindole-2-carboxamide

1-ethyl-N-prop-2-ynylindole-2-carboxamide (PubChem CID 47335095) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-ethyl-N-prop-2-ynylindole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-prop-2-ynylindole-2-carboxamide
PubChem CID47335095
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-ethyl-N-prop-2-ynylindole-2-carboxamide
SMILESC#CCNC(=O)c1cc2ccccc2n1CC
InChIInChI=1S/C14H14N2O/c1-3-9-15-14(17)13-10-11-7-5-6-8-12(11)16(13)4-2/h1,5-8,10H,4,9H2,2H3,(H,15,17)
InChIKeyOIRIZKDJVDNZNK-UHFFFAOYSA-N
XLogP2.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylindole-2-carbohydrazide
CID 166595239
N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide
CID 47066990
1-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]indole-2-carboxamide
CID 60550859
1-ethyl-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]indole-2-carboxamide
CID 75444716
1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide
CID 52522890
methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate
CID 86845751
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-ethylindole-2-carboxamide
CID 55930331
1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide
CID 47335050
1-prop-2-ynylindole-2-carboxylic acid
CID 18327565
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide
CID 111662958
methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate
CID 60550495
4-(1-ethylindol-2-yl)-4-hydroxy-2-oxobut-3-enoic acid
CID 3012072

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-prop-2-ynylindole-2-carboxamide?
The IUPAC name of 1-ethyl-N-prop-2-ynylindole-2-carboxamide (CID 47335095) is 1-ethyl-N-prop-2-ynylindole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-prop-2-ynylindole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-prop-2-ynylindole-2-carboxamide is C#CCNC(=O)c1cc2ccccc2n1CC.
What is the InChIKey of 1-ethyl-N-prop-2-ynylindole-2-carboxamide?
The InChIKey is OIRIZKDJVDNZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-9-15-14(17)13-10-11-7-5-6-8-12(11)16(13)4-2/h1,5-8,10H,4,9H2,2H3,(H,15,17).
What are the key properties of 1-ethyl-N-prop-2-ynylindole-2-carboxamide?
1-ethyl-N-prop-2-ynylindole-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-prop-2-ynylindole-2-carboxamide is sourced from PubChem (CID 47335095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).