(Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide

C15H23N3O — CID 134857323

IUPAC(Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide
SMILESCN(C)C(=O)/C=C(/c1cc2c([nH]1)CCCC2)N(C)C
InChIInChI=1S/C15H23N3O/c1-17(2)14(10-15(19)18(3)4)13-9-11-7-5-6-8-12(11)16-13/h9-10,16H,5-8H2,1-4H3/b14-10-
InChIKeyXRXRTUHCQZWWHK-UVTDQMKNSA-N
MW261.37 g/mol
LogP1.88
Rot. Bonds3

About (Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide

(Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide (PubChem CID 134857323) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide
PubChem CID134857323
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide
SMILESCN(C)C(=O)/C=C(/c1cc2c([nH]1)CCCC2)N(C)C
InChIInChI=1S/C15H23N3O/c1-17(2)14(10-15(19)18(3)4)13-9-11-7-5-6-8-12(11)16-13/h9-10,16H,5-8H2,1-4H3/b14-10-
InChIKeyXRXRTUHCQZWWHK-UVTDQMKNSA-N
XLogP1.88
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.88
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 (Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide (CID 134857323) is (Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide is CN(C)C(=O)/C=C(/c1cc2c([nH]1)CCCC2)N(C)C.
What is the InChIKey of (Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide?
The InChIKey is XRXRTUHCQZWWHK-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)14(10-15(19)18(3)4)13-9-11-7-5-6-8-12(11)16-13/h9-10,16H,5-8H2,1-4H3/b14-10-.
What are the key properties of (Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide?
(Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide is sourced from PubChem (CID 134857323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).