anthracen-1-ylmethyl carbamate

C16H13NO2 — CID 87121066

IUPACanthracen-1-ylmethyl carbamate
SMILESNC(=O)OCc1cccc2cc3ccccc3cc12
InChIInChI=1S/C16H13NO2/c17-16(18)19-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2,(H2,17,18)
InChIKeyFGPHMCKNKYHFFV-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.59
Rot. Bonds2

About anthracen-1-ylmethyl carbamate

anthracen-1-ylmethyl carbamate (PubChem CID 87121066) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is anthracen-1-ylmethyl carbamate.

Molecular Properties

Compound Nameanthracen-1-ylmethyl carbamate
PubChem CID87121066
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Nameanthracen-1-ylmethyl carbamate
SMILESNC(=O)OCc1cccc2cc3ccccc3cc12
InChIInChI=1S/C16H13NO2/c17-16(18)19-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2,(H2,17,18)
InChIKeyFGPHMCKNKYHFFV-UHFFFAOYSA-N
XLogP3.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anthracen-1-ylmethyl carbamate?
The IUPAC name of anthracen-1-ylmethyl carbamate (CID 87121066) is anthracen-1-ylmethyl carbamate.
What is the SMILES notation for anthracen-1-ylmethyl carbamate?
The canonical SMILES for anthracen-1-ylmethyl carbamate is NC(=O)OCc1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-ylmethyl carbamate?
The InChIKey is FGPHMCKNKYHFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c17-16(18)19-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2,(H2,17,18).
What are the key properties of anthracen-1-ylmethyl carbamate?
anthracen-1-ylmethyl carbamate has a molecular weight of 251.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-ylmethyl carbamate is sourced from PubChem (CID 87121066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).