4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline

C18H19N — CID 6508665

IUPAC4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C2/CCc3ccccc32)cc1
InChIInChI=1S/C18H19N/c1-19(2)17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)16/h3-8,11-13H,9-10H2,1-2H3/b16-13-
InChIKeyXGXYPOJSHFIRHQ-SSZFMOIBSA-N
MW249.36 g/mol
LogP4.24
Rot. Bonds2

About 4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline

4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline (PubChem CID 6508665) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline
PubChem CID6508665
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C2/CCc3ccccc32)cc1
InChIInChI=1S/C18H19N/c1-19(2)17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)16/h3-8,11-13H,9-10H2,1-2H3/b16-13-
InChIKeyXGXYPOJSHFIRHQ-SSZFMOIBSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(2E,6E)-2-benzylidene-6-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
CID 2313555
4-[(E)-3H-isoquinolin-4-ylidenemethyl]-N,N-dimethylaniline
CID 151709463
2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 101437430
(2E)-2-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
CID 5351388
4-[(E)-3,4-dihydro-2H-phenazin-1-ylidenemethyl]-N,N-dimethylaniline
CID 58659824
(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468147
[(2E,6E)-2,6-bis[[4-(dimethylamino)phenyl]methylidene]cyclohexylidene]-methyl-phenylazanium
CID 44669203
(2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one
CID 20653368
N,N-dimethyl-4-[(1-methyl-2,4-diphenyl-5,6-dihydrocyclopenta[b]pyridin-1-ium-7-ylidene)methyl]aniline perchlorate
CID 140516216
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one
CID 23265611
1-benzyl-3,5-bis[[4-(dimethylamino)phenyl]methylidene]piperidin-4-one
CID 54125661
(2Z)-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 6159604

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline (CID 6508665) is 4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C2/CCc3ccccc32)cc1.
What is the InChIKey of 4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline?
The InChIKey is XGXYPOJSHFIRHQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H19N/c1-19(2)17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)16/h3-8,11-13H,9-10H2,1-2H3/b16-13-.
What are the key properties of 4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline?
4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline has a molecular weight of 249.36 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline is sourced from PubChem (CID 6508665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).