N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide

C14H18N2O — CID 61251337

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H18N2O/c1-2-14(17)15-9-5-10-16-11-8-12-6-3-4-7-13(12)16/h2-4,6-7H,1,5,8-11H2,(H,15,17)
InChIKeyFUGTZJDUZFMPGU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.74
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide

N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide (PubChem CID 61251337) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
PubChem CID61251337
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H18N2O/c1-2-14(17)15-9-5-10-16-11-8-12-6-3-4-7-13(12)16/h2-4,6-7H,1,5,8-11H2,(H,15,17)
InChIKeyFUGTZJDUZFMPGU-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
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

3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36972876
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-phenylthiourea
CID 100678118
methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate
CID 71893155

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide (CID 61251337) is N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide is C=CC(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide?
The InChIKey is FUGTZJDUZFMPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-14(17)15-9-5-10-16-11-8-12-6-3-4-7-13(12)16/h2-4,6-7H,1,5,8-11H2,(H,15,17).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide has a molecular weight of 230.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide is sourced from PubChem (CID 61251337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).