N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide

C14H18N2O — CID 66781277

IUPACN-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC1c2ccccc2NC1C
InChIInChI=1S/C14H18N2O/c1-4-14(17)16(3)9-12-10(2)15-13-8-6-5-7-11(12)13/h4-8,10,12,15H,1,9H2,2-3H3
InChIKeyDDTKOJCSZIASBP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide

N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide (PubChem CID 66781277) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide
PubChem CID66781277
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC1c2ccccc2NC1C
InChIInChI=1S/C14H18N2O/c1-4-14(17)16(3)9-12-10(2)15-13-8-6-5-7-11(12)13/h4-8,10,12,15H,1,9H2,2-3H3
InChIKeyDDTKOJCSZIASBP-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
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-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide (CID 66781277) is N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide is C=CC(=O)N(C)CC1c2ccccc2NC1C.
What is the InChIKey of N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide?
The InChIKey is DDTKOJCSZIASBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-14(17)16(3)9-12-10(2)15-13-8-6-5-7-11(12)13/h4-8,10,12,15H,1,9H2,2-3H3.
What are the key properties of N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide?
N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide has a molecular weight of 230.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 66781277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).