2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione

C19H23NO2 — CID 146459397

IUPAC2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione
SMILESCN(C)C=C1C(=O)CC(c2cccc3c2CCCC3)CC1=O
InChIInChI=1S/C19H23NO2/c1-20(2)12-17-18(21)10-14(11-19(17)22)16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,12,14H,3-4,6,8,10-11H2,1-2H3/b17-12-
InChIKeyBRJQCPQUGVOEAW-ATVHPVEESA-N
MW297.40 g/mol
LogP3.03
Rot. Bonds2

About 2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione

2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione (PubChem CID 146459397) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione.

Molecular Properties

Compound Name2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione
PubChem CID146459397
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione
SMILESCN(C)C=C1C(=O)CC(c2cccc3c2CCCC3)CC1=O
InChIInChI=1S/C19H23NO2/c1-20(2)12-17-18(21)10-14(11-19(17)22)16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,12,14H,3-4,6,8,10-11H2,1-2H3/b17-12-
InChIKeyBRJQCPQUGVOEAW-ATVHPVEESA-N
XLogP3.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione?
The IUPAC name of 2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione (CID 146459397) is 2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione.
What is the SMILES notation for 2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione?
The canonical SMILES for 2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione is CN(C)C=C1C(=O)CC(c2cccc3c2CCCC3)CC1=O.
What is the InChIKey of 2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione?
The InChIKey is BRJQCPQUGVOEAW-ATVHPVEESA-N. The full InChI is InChI=1S/C19H23NO2/c1-20(2)12-17-18(21)10-14(11-19(17)22)16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,12,14H,3-4,6,8,10-11H2,1-2H3/b17-12-.
What are the key properties of 2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione?
2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione has a molecular weight of 297.40 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminomethylidene)-5-(5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1,3-dione is sourced from PubChem (CID 146459397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).