(3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene

C12H11N — CID 54118833

IUPAC(3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene
SMILES[C-]#[N+]/C(C)=C1/CCc2ccccc21
InChIInChI=1S/C12H11N/c1-9(13-2)11-8-7-10-5-3-4-6-12(10)11/h3-6H,7-8H2,1H3/b11-9-
InChIKeyLPEWPJCDQLPWSV-LUAWRHEFSA-N
MW169.23 g/mol
LogP3.28
Rot. Bonds

About (3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene

(3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene (PubChem CID 54118833) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is (3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene.

Molecular Properties

Compound Name(3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene
PubChem CID54118833
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name(3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene
SMILES[C-]#[N+]/C(C)=C1/CCc2ccccc21
InChIInChI=1S/C12H11N/c1-9(13-2)11-8-7-10-5-3-4-6-12(10)11/h3-6H,7-8H2,1H3/b11-9-
InChIKeyLPEWPJCDQLPWSV-LUAWRHEFSA-N
XLogP3.28
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroinden-1-ylidenemethanediol
CID 14337503
9,10-dihydrophenanthrene;ethane
CID 143759681
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59340364
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride
CID 68966659
(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid
CID 135039237
(2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one
CID 177494103
[(Z)-2,3-dihydroinden-1-ylidene(propan-2-yloxy)methoxy]-trimethylsilane
CID 102398395
2,3-dihydroindene-1-thione;ethane
CID 142140670
N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
CID 70236662
(2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 15732203

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene?
The IUPAC name of (3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene (CID 54118833) is (3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene.
What is the SMILES notation for (3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene?
The canonical SMILES for (3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene is [C-]#[N+]/C(C)=C1/CCc2ccccc21.
What is the InChIKey of (3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene?
The InChIKey is LPEWPJCDQLPWSV-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H11N/c1-9(13-2)11-8-7-10-5-3-4-6-12(10)11/h3-6H,7-8H2,1H3/b11-9-.
What are the key properties of (3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene?
(3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene has a molecular weight of 169.23 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-isocyanoethylidene)-1,2-dihydroindene is sourced from PubChem (CID 54118833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).