N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide

C14H16N2O — CID 106222041

IUPACN-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide
SMILESC#CCCCNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H16N2O/c1-2-3-4-8-16-14(17)12-5-6-13-11(10-12)7-9-15-13/h1,5-6,10,15H,3-4,7-9H2,(H,16,17)
InChIKeyBFKXEESIGZEISB-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.80
Rot. Bonds4

About N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide

N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 106222041) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID106222041
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide
SMILESC#CCCCNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H16N2O/c1-2-3-4-8-16-14(17)12-5-6-13-11(10-12)7-9-15-13/h1,5-6,10,15H,3-4,7-9H2,(H,16,17)
InChIKeyBFKXEESIGZEISB-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
N-[3-(2-hydroxyethoxy)propyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 106310514
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 79362938
N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103757881
N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 71051708
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325545
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60976962
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide (CID 106222041) is N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide is C#CCCCNC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is BFKXEESIGZEISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-3-4-8-16-14(17)12-5-6-13-11(10-12)7-9-15-13/h1,5-6,10,15H,3-4,7-9H2,(H,16,17).
What are the key properties of N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide?
N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 106222041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).