amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate

C8H10N2O2 — CID 150928421

IUPACamino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate
SMILESC=C1C=CC(NC(=O)ON)=CC1
InChIInChI=1S/C8H10N2O2/c1-6-2-4-7(5-3-6)10-8(11)12-9/h2,4-5H,1,3,9H2,(H,10,11)
InChIKeyLFMVHQQQJKSSAN-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.99
Rot. Bonds1

About amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate

amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate (PubChem CID 150928421) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate.

Molecular Properties

Compound Nameamino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate
PubChem CID150928421
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameamino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate
SMILESC=C1C=CC(NC(=O)ON)=CC1
InChIInChI=1S/C8H10N2O2/c1-6-2-4-7(5-3-6)10-8(11)12-9/h2,4-5H,1,3,9H2,(H,10,11)
InChIKeyLFMVHQQQJKSSAN-UHFFFAOYSA-N
XLogP0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate?
The IUPAC name of amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate (CID 150928421) is amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate.
What is the SMILES notation for amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate?
The canonical SMILES for amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate is C=C1C=CC(NC(=O)ON)=CC1.
What is the InChIKey of amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate?
The InChIKey is LFMVHQQQJKSSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-2-4-7(5-3-6)10-8(11)12-9/h2,4-5H,1,3,9H2,(H,10,11).
What are the key properties of amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate?
amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate has a molecular weight of 166.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-(4-methylidenecyclohexa-1,5-dien-1-yl)carbamate is sourced from PubChem (CID 150928421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).