(Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one

C17H19NO2 — CID 91872079

IUPAC(Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one
SMILESCOC(C)(C)/C(N)=C/C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c1-17(2,20-3)16(18)11-15(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,18H2,1-3H3/b16-11-
InChIKeySLKFJQNNMPMAMI-WJDWOHSUSA-N
MW269.34 g/mol
LogP3.29
Rot. Bonds4

About (Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one

(Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one (PubChem CID 91872079) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one
PubChem CID91872079
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one
SMILESCOC(C)(C)/C(N)=C/C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c1-17(2,20-3)16(18)11-15(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,18H2,1-3H3/b16-11-
InChIKeySLKFJQNNMPMAMI-WJDWOHSUSA-N
XLogP3.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582610
CID 129133768
CID 129133768
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
[(E)-but-2-enyl] naphthalene-1-carboxylate
CID 15424069
methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate
CID 70419012
(Z)-3-methylsulfanyl-1-naphthalen-1-yl-3-phenylsulfanylprop-2-en-1-one
CID 162401803
2-hydroxyimino-1-naphthalen-1-ylethanone
CID 72672439
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
(E)-4,4,4-trifluoro-1-naphthalen-1-ylbut-2-en-1-one
CID 101484406
methyl (Z)-4-hydroxy-4-naphthalen-1-yl-2-oxobut-3-enoate
CID 17245071
N-(1-amino-2-methylpropan-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 119522938

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one?
The IUPAC name of (Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one (CID 91872079) is (Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one.
What is the SMILES notation for (Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one?
The canonical SMILES for (Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one is COC(C)(C)/C(N)=C/C(=O)c1cccc2ccccc12.
What is the InChIKey of (Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one?
The InChIKey is SLKFJQNNMPMAMI-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,20-3)16(18)11-15(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,18H2,1-3H3/b16-11-.
What are the key properties of (Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one?
(Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one is sourced from PubChem (CID 91872079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).