(1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one

C14H18N2O — CID 59140745

IUPAC(1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one
SMILESCN/N=C1\C(=O)C(C(C)C)C=C2C=CC=CC21
InChIInChI=1S/C14H18N2O/c1-9(2)12-8-10-6-4-5-7-11(10)13(14(12)17)16-15-3/h4-9,11-12,15H,1-3H3/b16-13-
InChIKeyAALUMDUSWAFXHQ-SSZFMOIBSA-N
MW230.31 g/mol
LogP2.09
Rot. Bonds2

About (1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one

(1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one (PubChem CID 59140745) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one.

Molecular Properties

Compound Name(1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one
PubChem CID59140745
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one
SMILESCN/N=C1\C(=O)C(C(C)C)C=C2C=CC=CC21
InChIInChI=1S/C14H18N2O/c1-9(2)12-8-10-6-4-5-7-11(10)13(14(12)17)16-15-3/h4-9,11-12,15H,1-3H3/b16-13-
InChIKeyAALUMDUSWAFXHQ-SSZFMOIBSA-N
XLogP2.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one?
The IUPAC name of (1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one (CID 59140745) is (1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one.
What is the SMILES notation for (1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one?
The canonical SMILES for (1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one is CN/N=C1\C(=O)C(C(C)C)C=C2C=CC=CC21.
What is the InChIKey of (1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one?
The InChIKey is AALUMDUSWAFXHQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)12-8-10-6-4-5-7-11(10)13(14(12)17)16-15-3/h4-9,11-12,15H,1-3H3/b16-13-.
What are the key properties of (1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one?
(1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(methylhydrazinylidene)-3-propan-2-yl-3,8a-dihydronaphthalen-2-one is sourced from PubChem (CID 59140745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).