N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide

C11H12N2O — CID 57272878

IUPACN-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide
SMILESO=CNN=C1CCc2ccccc2C1
InChIInChI=1S/C11H12N2O/c14-8-12-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8H,5-7H2,(H,12,14)
InChIKeyQLASTSBBJIAFFJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.28
Rot. Bonds2

About N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide

N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide (PubChem CID 57272878) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide
PubChem CID57272878
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide
SMILESO=CNN=C1CCc2ccccc2C1
InChIInChI=1S/C11H12N2O/c14-8-12-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8H,5-7H2,(H,12,14)
InChIKeyQLASTSBBJIAFFJ-UHFFFAOYSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide?
The IUPAC name of N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide (CID 57272878) is N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide.
What is the SMILES notation for N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide?
The canonical SMILES for N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide is O=CNN=C1CCc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide?
The InChIKey is QLASTSBBJIAFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-8-12-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8H,5-7H2,(H,12,14).
What are the key properties of N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide?
N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide has a molecular weight of 188.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide is sourced from PubChem (CID 57272878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).