(3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one

C16H17NO — CID 174261938

IUPAC(3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one
SMILESC=C/C=C1/C(=C(C=C)C=C)/C(=C\C=C)C(=O)N1C
InChIInChI=1S/C16H17NO/c1-6-10-13-15(12(8-3)9-4)14(11-7-2)17(5)16(13)18/h6-11H,1-4H2,5H3/b13-10+,14-11+
InChIKeyIVVJWKGNVRVQKD-IFQMDVHZSA-N
MW239.32 g/mol
LogP3.31
Rot. Bonds4

About (3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one

(3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one (PubChem CID 174261938) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name(3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one
PubChem CID174261938
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one
SMILESC=C/C=C1/C(=C(C=C)C=C)/C(=C\C=C)C(=O)N1C
InChIInChI=1S/C16H17NO/c1-6-10-13-15(12(8-3)9-4)14(11-7-2)17(5)16(13)18/h6-11H,1-4H2,5H3/b13-10+,14-11+
InChIKeyIVVJWKGNVRVQKD-IFQMDVHZSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one?
The IUPAC name of (3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one (CID 174261938) is (3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one.
What is the SMILES notation for (3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one?
The canonical SMILES for (3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one is C=C/C=C1/C(=C(C=C)C=C)/C(=C\C=C)C(=O)N1C.
What is the InChIKey of (3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one?
The InChIKey is IVVJWKGNVRVQKD-IFQMDVHZSA-N. The full InChI is InChI=1S/C16H17NO/c1-6-10-13-15(12(8-3)9-4)14(11-7-2)17(5)16(13)18/h6-11H,1-4H2,5H3/b13-10+,14-11+.
What are the key properties of (3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one?
(3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one has a molecular weight of 239.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one is sourced from PubChem (CID 174261938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).