(4-methanehydrazonoylphenyl) propanoate

C10H12N2O2 — CID 168530335

IUPAC(4-methanehydrazonoylphenyl) propanoate
SMILESCCC(=O)Oc1ccc(C=NN)cc1
InChIInChI=1S/C10H12N2O2/c1-2-10(13)14-9-5-3-8(4-6-9)7-12-11/h3-7H,2,11H2,1H3
InChIKeyFKBMAIVKBXHIRQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.29
Rot. Bonds3

About (4-methanehydrazonoylphenyl) propanoate

(4-methanehydrazonoylphenyl) propanoate (PubChem CID 168530335) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (4-methanehydrazonoylphenyl) propanoate.

Molecular Properties

Compound Name(4-methanehydrazonoylphenyl) propanoate
PubChem CID168530335
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(4-methanehydrazonoylphenyl) propanoate
SMILESCCC(=O)Oc1ccc(C=NN)cc1
InChIInChI=1S/C10H12N2O2/c1-2-10(13)14-9-5-3-8(4-6-9)7-12-11/h3-7H,2,11H2,1H3
InChIKeyFKBMAIVKBXHIRQ-UHFFFAOYSA-N
XLogP1.29
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(carbamothioylhydrazinylidene)methyl]phenyl] propanoate
CID 168535389
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] propanoate
CID 168630051
(E)-2-methyl-3-(4-propanoyloxyphenyl)prop-2-enoic acid
CID 70408331
(4-methanehydrazonoylphenyl) 3-methylbenzoate
CID 168530479
[4-(aminomethyl)phenyl] propanoate
CID 23063742
(4-hydrazinylphenyl) propanoate
CID 57133052
phenyl propanoate
CID 161258381
(4-propanoylphenyl) propanoate
CID 19170728
(4-methanehydrazonoylphenyl) 2-chlorobenzoate
CID 168530478
(4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530481
CID 161494205
CID 161494205
[4-(methylamino)phenyl] propanoate
CID 129013765

Frequently Asked Questions

What is the IUPAC name of (4-methanehydrazonoylphenyl) propanoate?
The IUPAC name of (4-methanehydrazonoylphenyl) propanoate (CID 168530335) is (4-methanehydrazonoylphenyl) propanoate.
What is the SMILES notation for (4-methanehydrazonoylphenyl) propanoate?
The canonical SMILES for (4-methanehydrazonoylphenyl) propanoate is CCC(=O)Oc1ccc(C=NN)cc1.
What is the InChIKey of (4-methanehydrazonoylphenyl) propanoate?
The InChIKey is FKBMAIVKBXHIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-10(13)14-9-5-3-8(4-6-9)7-12-11/h3-7H,2,11H2,1H3.
What are the key properties of (4-methanehydrazonoylphenyl) propanoate?
(4-methanehydrazonoylphenyl) propanoate has a molecular weight of 192.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanehydrazonoylphenyl) propanoate is sourced from PubChem (CID 168530335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).