N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide

C13H22N2O — CID 58205358

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCC2CCCNC2C1
InChIInChI=1S/C13H22N2O/c1-9(2)13(16)15-11-6-5-10-4-3-7-14-12(10)8-11/h10-12,14H,1,3-8H2,2H3,(H,15,16)
InChIKeyFJKFHAFVZAPYRL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.60
Rot. Bonds2

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide (PubChem CID 58205358) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide
PubChem CID58205358
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCC2CCCNC2C1
InChIInChI=1S/C13H22N2O/c1-9(2)13(16)15-11-6-5-10-4-3-7-14-12(10)8-11/h10-12,14H,1,3-8H2,2H3,(H,15,16)
InChIKeyFJKFHAFVZAPYRL-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
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-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide (CID 58205358) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC1CCC2CCCNC2C1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide?
The InChIKey is FJKFHAFVZAPYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)13(16)15-11-6-5-10-4-3-7-14-12(10)8-11/h10-12,14H,1,3-8H2,2H3,(H,15,16).
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide has a molecular weight of 222.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 58205358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).