(Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one

C20H25NO2 — CID 134868170

IUPAC(Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one
SMILESCC(C)C(=O)/C=C\C1=C(N2CCOCC2)Cc2ccccc2C1
InChIInChI=1S/C20H25NO2/c1-15(2)20(22)8-7-18-13-16-5-3-4-6-17(16)14-19(18)21-9-11-23-12-10-21/h3-8,15H,9-14H2,1-2H3/b8-7-
InChIKeyRHBIZTFSFGPYKZ-FPLPWBNLSA-N
MW311.43 g/mol
LogP3.15
Rot. Bonds4

About (Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one

(Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one (PubChem CID 134868170) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one.

Molecular Properties

Compound Name(Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one
PubChem CID134868170
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one
SMILESCC(C)C(=O)/C=C\C1=C(N2CCOCC2)Cc2ccccc2C1
InChIInChI=1S/C20H25NO2/c1-15(2)20(22)8-7-18-13-16-5-3-4-6-17(16)14-19(18)21-9-11-23-12-10-21/h3-8,15H,9-14H2,1-2H3/b8-7-
InChIKeyRHBIZTFSFGPYKZ-FPLPWBNLSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(4-bromophenyl)-3-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)prop-2-en-1-one
CID 134868175
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
CID 113079086
(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 51424205
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
(E)-3-(4-morpholin-4-ylnaphthalen-1-yl)prop-2-enoic acid
CID 122703391
2-morpholin-4-yl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 84576378
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 111434188
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388
(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxo-5-phenylpent-4-enenitrile
CID 60528149
4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide
CID 91466295
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one?
The IUPAC name of (Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one (CID 134868170) is (Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one.
What is the SMILES notation for (Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one?
The canonical SMILES for (Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one is CC(C)C(=O)/C=C\C1=C(N2CCOCC2)Cc2ccccc2C1.
What is the InChIKey of (Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one?
The InChIKey is RHBIZTFSFGPYKZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(2)20(22)8-7-18-13-16-5-3-4-6-17(16)14-19(18)21-9-11-23-12-10-21/h3-8,15H,9-14H2,1-2H3/b8-7-.
What are the key properties of (Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one?
(Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one has a molecular weight of 311.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-1-(3-morpholin-4-yl-1,4-dihydronaphthalen-2-yl)pent-1-en-3-one is sourced from PubChem (CID 134868170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).