anilino formate;ethane

C9H13NO2 — CID 158049323

IUPACanilino formate;ethane
SMILESCC.O=CONc1ccccc1
InChIInChI=1S/C7H7NO2.C2H6/c9-6-10-8-7-4-2-1-3-5-7;1-2/h1-6,8H;1-2H3
InChIKeyFJHCVVSKWDEAEG-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.21
Rot. Bonds3

About anilino formate;ethane

anilino formate;ethane (PubChem CID 158049323) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is anilino formate;ethane.

Molecular Properties

Compound Nameanilino formate;ethane
PubChem CID158049323
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameanilino formate;ethane
SMILESCC.O=CONc1ccccc1
InChIInChI=1S/C7H7NO2.C2H6/c9-6-10-8-7-4-2-1-3-5-7;1-2/h1-6,8H;1-2H3
InChIKeyFJHCVVSKWDEAEG-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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isocyanic acid;N-methoxyaniline
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6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
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N-sulfanyloxyaniline
CID 141339499
N-anilinooxyarsonoyloxyaniline
CID 174957008
N-[4-(4-anilinooxyphenyl)phenoxy]aniline
CID 172689227
CID 59264345
CID 59264345
4-N-methoxy-1-N-phenylbenzene-1,4-diamine
CID 23137119
(quinoxalin-2-ylamino) formate
CID 89003133

Frequently Asked Questions

What is the IUPAC name of anilino formate;ethane?
The IUPAC name of anilino formate;ethane (CID 158049323) is anilino formate;ethane.
What is the SMILES notation for anilino formate;ethane?
The canonical SMILES for anilino formate;ethane is CC.O=CONc1ccccc1.
What is the InChIKey of anilino formate;ethane?
The InChIKey is FJHCVVSKWDEAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C2H6/c9-6-10-8-7-4-2-1-3-5-7;1-2/h1-6,8H;1-2H3.
What are the key properties of anilino formate;ethane?
anilino formate;ethane has a molecular weight of 167.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anilino formate;ethane is sourced from PubChem (CID 158049323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).