anthracene;carbamic acid

C16H16N2O4 — CID 175829051

IUPACanthracene;carbamic acid
SMILESNC(=O)O.NC(=O)O.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.2CH3NO2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*2-1(3)4/h1-10H;2*2H2,(H,3,4)
InChIKeyOUQLRDFFGFKDLG-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.24
Rot. Bonds

About anthracene;carbamic acid

anthracene;carbamic acid (PubChem CID 175829051) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is anthracene;carbamic acid.

Molecular Properties

Compound Nameanthracene;carbamic acid
PubChem CID175829051
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Nameanthracene;carbamic acid
SMILESNC(=O)O.NC(=O)O.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.2CH3NO2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*2-1(3)4/h1-10H;2*2H2,(H,3,4)
InChIKeyOUQLRDFFGFKDLG-UHFFFAOYSA-N
XLogP3.24
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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anthracene;diphenylmethanone
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CID 70080980
anthracene;ethyl carbamate
CID 174381530
tetracene-2-carboxamide;hydrobromide
CID 22400124
CID 175042046
CID 175042046
anthracene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160688323
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anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
anthracene;vanadium
CID 173418141

Frequently Asked Questions

What is the IUPAC name of anthracene;carbamic acid?
The IUPAC name of anthracene;carbamic acid (CID 175829051) is anthracene;carbamic acid.
What is the SMILES notation for anthracene;carbamic acid?
The canonical SMILES for anthracene;carbamic acid is NC(=O)O.NC(=O)O.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;carbamic acid?
The InChIKey is OUQLRDFFGFKDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.2CH3NO2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*2-1(3)4/h1-10H;2*2H2,(H,3,4).
What are the key properties of anthracene;carbamic acid?
anthracene;carbamic acid has a molecular weight of 300.31 g/mol, XLogP of 3.24, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;carbamic acid is sourced from PubChem (CID 175829051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).