2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde

C18H17NO — CID 57176264

IUPAC2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde
SMILESO=CC1/C(=N/Cc2ccccc2)CCc2ccccc21
InChIInChI=1S/C18H17NO/c20-13-17-16-9-5-4-8-15(16)10-11-18(17)19-12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2/b19-18+
InChIKeyDECBFZAIHWGRTE-VHEBQXMUSA-N
MW263.34 g/mol
LogP3.56
Rot. Bonds3

About 2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde

2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde (PubChem CID 57176264) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde
PubChem CID57176264
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde
SMILESO=CC1/C(=N/Cc2ccccc2)CCc2ccccc21
InChIInChI=1S/C18H17NO/c20-13-17-16-9-5-4-8-15(16)10-11-18(17)19-12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2/b19-18+
InChIKeyDECBFZAIHWGRTE-VHEBQXMUSA-N
XLogP3.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carbaldehyde
CID 139402521
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590
9-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbaldehyde
CID 19958800
(11S)-2-ethyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carbaldehyde
CID 129362706
3-oxo-1,4-dihydroisothiochromene-4-carbaldehyde
CID 91468533
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
2-tert-butyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carbaldehyde
CID 10356324
N-benzyl-2-methyl-2,3-dihydroinden-1-imine
CID 166437795
3,4-dihydro-1H-isothiochromene-1-carboxylic acid
CID 54595778
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
2,3-diphenylcycloprop-2-ene-1-carbaldehyde
CID 12749987

Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde?
The IUPAC name of 2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde (CID 57176264) is 2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde?
The canonical SMILES for 2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde is O=CC1/C(=N/Cc2ccccc2)CCc2ccccc21.
What is the InChIKey of 2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde?
The InChIKey is DECBFZAIHWGRTE-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H17NO/c20-13-17-16-9-5-4-8-15(16)10-11-18(17)19-12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2/b19-18+.
What are the key properties of 2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde?
2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-3,4-dihydro-1H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 57176264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).