formic acid;naphthalen-1-amine

C11H11NO2 — CID 174286759

IUPACformic acid;naphthalen-1-amine
SMILESNc1cccc2ccccc12.O=CO
InChIInChI=1S/C10H9N.CH2O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H,11H2;1H,(H,2,3)
InChIKeyFEIDRTHMBQSGON-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.12
Rot. Bonds

About formic acid;naphthalen-1-amine

formic acid;naphthalen-1-amine (PubChem CID 174286759) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is formic acid;naphthalen-1-amine.

Molecular Properties

Compound Nameformic acid;naphthalen-1-amine
PubChem CID174286759
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Nameformic acid;naphthalen-1-amine
SMILESNc1cccc2ccccc12.O=CO
InChIInChI=1S/C10H9N.CH2O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H,11H2;1H,(H,2,3)
InChIKeyFEIDRTHMBQSGON-UHFFFAOYSA-N
XLogP2.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 135259743
CID 135259743
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
dichloromethane;naphthalen-1-amine
CID 174958204
hydrogen sulfite;naphthalen-1-amine
CID 174331156
methylsulfonylmethane;naphthalen-1-amine
CID 158608928
naphthalen-1-amine;trifluoromethanesulfonic acid
CID 175237675
naphthalen-1-amine;1,3,5,2,4,6-triazatriphosphinane
CID 175083244
diazene;naphthalen-1-amine
CID 142081772
1-bromonaphthalene;formic acid
CID 174427536
naphthalen-1-amine;phenylmethanamine
CID 23298608
formic acid;naphthalene
CID 137353924
diphenyldiazene;naphthalen-1-amine
CID 159387194

Frequently Asked Questions

What is the IUPAC name of formic acid;naphthalen-1-amine?
The IUPAC name of formic acid;naphthalen-1-amine (CID 174286759) is formic acid;naphthalen-1-amine.
What is the SMILES notation for formic acid;naphthalen-1-amine?
The canonical SMILES for formic acid;naphthalen-1-amine is Nc1cccc2ccccc12.O=CO.
What is the InChIKey of formic acid;naphthalen-1-amine?
The InChIKey is FEIDRTHMBQSGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.CH2O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H,11H2;1H,(H,2,3).
What are the key properties of formic acid;naphthalen-1-amine?
formic acid;naphthalen-1-amine has a molecular weight of 189.21 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;naphthalen-1-amine is sourced from PubChem (CID 174286759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).