azane;prop-2-enyl but-3-enoate

C7H13NO2 — CID 88514758

IUPACazane;prop-2-enyl but-3-enoate
SMILESC=CCOC(=O)CC=C.N
InChIInChI=1S/C7H10O2.H3N/c1-3-5-7(8)9-6-4-2;/h3-4H,1-2,5-6H2;1H3
InChIKeyNOAHJDRUYKZUFW-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.45
Rot. Bonds4

About azane;prop-2-enyl but-3-enoate

azane;prop-2-enyl but-3-enoate (PubChem CID 88514758) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is azane;prop-2-enyl but-3-enoate.

Molecular Properties

Compound Nameazane;prop-2-enyl but-3-enoate
PubChem CID88514758
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameazane;prop-2-enyl but-3-enoate
SMILESC=CCOC(=O)CC=C.N
InChIInChI=1S/C7H10O2.H3N/c1-3-5-7(8)9-6-4-2;/h3-4H,1-2,5-6H2;1H3
InChIKeyNOAHJDRUYKZUFW-UHFFFAOYSA-N
XLogP1.45
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 4-hydroxybut-3-enoate
CID 173111273
4-but-3-enoyloxybut-2-enoic acid
CID 123546814
azane;prop-2-enyl propanoate
CID 87729437
prop-2-enyl (3E)-hexa-3,5-dienoate
CID 12943289
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
bis(prop-2-enyl) 3-aminohex-3-enedioate
CID 139710356
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
azane;prop-2-enyl 2-(hydroxymethylidene)pent-4-enoate
CID 173431972
propan-2-one;prop-2-enyl propanoate
CID 174904905
chloromethane;prop-2-enyl propanoate
CID 174815872
[(2E)-3,7-dimethylocta-2,6-dienyl] but-3-enoate
CID 139889116
2-(2-hydroxyethoxy)ethyl but-3-enoate
CID 88640670

Frequently Asked Questions

What is the IUPAC name of azane;prop-2-enyl but-3-enoate?
The IUPAC name of azane;prop-2-enyl but-3-enoate (CID 88514758) is azane;prop-2-enyl but-3-enoate.
What is the SMILES notation for azane;prop-2-enyl but-3-enoate?
The canonical SMILES for azane;prop-2-enyl but-3-enoate is C=CCOC(=O)CC=C.N.
What is the InChIKey of azane;prop-2-enyl but-3-enoate?
The InChIKey is NOAHJDRUYKZUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.H3N/c1-3-5-7(8)9-6-4-2;/h3-4H,1-2,5-6H2;1H3.
What are the key properties of azane;prop-2-enyl but-3-enoate?
azane;prop-2-enyl but-3-enoate has a molecular weight of 143.19 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;prop-2-enyl but-3-enoate is sourced from PubChem (CID 88514758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).