N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide

C14H18N2O — CID 170184149

IUPACN-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1cc2c(n1C)=CCCC=2
InChIInChI=1S/C14H18N2O/c1-4-14(17)15(2)10-12-9-11-7-5-6-8-13(11)16(12)3/h4,7-9H,1,5-6,10H2,2-3H3
InChIKeyOBXPALLTICRXTA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.52
Rot. Bonds3

About N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide

N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide (PubChem CID 170184149) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide
PubChem CID170184149
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1cc2c(n1C)=CCCC=2
InChIInChI=1S/C14H18N2O/c1-4-14(17)15(2)10-12-9-11-7-5-6-8-13(11)16(12)3/h4,7-9H,1,5-6,10H2,2-3H3
InChIKeyOBXPALLTICRXTA-UHFFFAOYSA-N
XLogP0.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide (CID 170184149) is N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide is C=CC(=O)N(C)Cc1cc2c(n1C)=CCCC=2.
What is the InChIKey of N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide?
The InChIKey is OBXPALLTICRXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-14(17)15(2)10-12-9-11-7-5-6-8-13(11)16(12)3/h4,7-9H,1,5-6,10H2,2-3H3.
What are the key properties of N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide?
N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide has a molecular weight of 230.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methyl-5,6-dihydroindol-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 170184149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).