(1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate

C10H15NO3 — CID 76836580

IUPAC(1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate
SMILESC=C(C=CC)C(=O)ON=C(C)COC
InChIInChI=1S/C10H15NO3/c1-5-6-8(2)10(12)14-11-9(3)7-13-4/h5-6H,2,7H2,1,3-4H3
InChIKeyDONYCOXJCRDPLS-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.68
Rot. Bonds5

About (1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate

(1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate (PubChem CID 76836580) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate.

Molecular Properties

Compound Name(1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate
PubChem CID76836580
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate
SMILESC=C(C=CC)C(=O)ON=C(C)COC
InChIInChI=1S/C10H15NO3/c1-5-6-8(2)10(12)14-11-9(3)7-13-4/h5-6H,2,7H2,1,3-4H3
InChIKeyDONYCOXJCRDPLS-UHFFFAOYSA-N
XLogP1.68
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-methoxypropan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate
CID 58607710
[(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate
CID 58761257
[(Z)-1-methoxyethylideneamino] (Z)-2-methylidenepent-3-enoate
CID 60039914
(1-Ethoxyethylideneamino) 2-methylidenepent-3-enoate
CID 72415607
(1-Methoxyethylideneamino) 2-methylidenepent-3-enoate
CID 72629409
methyl (2E)-2-methoxyimino-4-methylpent-3-enoate
CID 88662175
Methyl 2-methoxyimino-4-methylpent-3-enoate
CID 88662176
diethyl (Z,2E,5Z)-2-ethylidene-5-hydroxyiminohex-3-enedioate
CID 118012704
[(Z)-3-methylbutan-2-ylideneamino] (Z)-2-methylidenepent-3-enoate
CID 122677965
ethyl (2E,3E)-2-hydroxyiminohexa-3,5-dienoate
CID 172982787

Frequently Asked Questions

What is the IUPAC name of (1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate?
The IUPAC name of (1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate (CID 76836580) is (1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate.
What is the SMILES notation for (1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate?
The canonical SMILES for (1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate is C=C(C=CC)C(=O)ON=C(C)COC.
What is the InChIKey of (1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate?
The InChIKey is DONYCOXJCRDPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-6-8(2)10(12)14-11-9(3)7-13-4/h5-6H,2,7H2,1,3-4H3.
What are the key properties of (1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate?
(1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate has a molecular weight of 197.23 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxypropan-2-ylideneamino) 2-methylidenepent-3-enoate is sourced from PubChem (CID 76836580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).