5-hydrazinylpentan-2-yl prop-2-enoate

C8H16N2O2 — CID 139644736

IUPAC5-hydrazinylpentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCNN
InChIInChI=1S/C8H16N2O2/c1-3-8(11)12-7(2)5-4-6-10-9/h3,7,10H,1,4-6,9H2,2H3
InChIKeyHVUCDMTUTSZCPT-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.35
Rot. Bonds6

About 5-hydrazinylpentan-2-yl prop-2-enoate

5-hydrazinylpentan-2-yl prop-2-enoate (PubChem CID 139644736) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-hydrazinylpentan-2-yl prop-2-enoate.

Molecular Properties

Compound Name5-hydrazinylpentan-2-yl prop-2-enoate
PubChem CID139644736
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name5-hydrazinylpentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCNN
InChIInChI=1S/C8H16N2O2/c1-3-8(11)12-7(2)5-4-6-10-9/h3,7,10H,1,4-6,9H2,2H3
InChIKeyHVUCDMTUTSZCPT-UHFFFAOYSA-N
XLogP0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
5-methylhexan-2-yl prop-2-enoate
CID 151222941
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
12-oxo-12-(4-prop-2-enoyloxypentoxy)dodecanoic acid
CID 141499372

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinylpentan-2-yl prop-2-enoate?
The IUPAC name of 5-hydrazinylpentan-2-yl prop-2-enoate (CID 139644736) is 5-hydrazinylpentan-2-yl prop-2-enoate.
What is the SMILES notation for 5-hydrazinylpentan-2-yl prop-2-enoate?
The canonical SMILES for 5-hydrazinylpentan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCNN.
What is the InChIKey of 5-hydrazinylpentan-2-yl prop-2-enoate?
The InChIKey is HVUCDMTUTSZCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-8(11)12-7(2)5-4-6-10-9/h3,7,10H,1,4-6,9H2,2H3.
What are the key properties of 5-hydrazinylpentan-2-yl prop-2-enoate?
5-hydrazinylpentan-2-yl prop-2-enoate has a molecular weight of 172.23 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinylpentan-2-yl prop-2-enoate is sourced from PubChem (CID 139644736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).