(Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide

C15H20N2O — CID 143447036

IUPAC(Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide
SMILESC#CC(/C=C\N=C\C)CCNC(=O)C(=C)/C=C\C
InChIInChI=1S/C15H20N2O/c1-5-8-13(4)15(18)17-12-10-14(6-2)9-11-16-7-3/h2,5,7-9,11,14H,4,10,12H2,1,3H3,(H,17,18)/b8-5-,11-9-,16-7+
InChIKeyKWLXQAUBUFPROT-VUESZHJKSA-N
MW244.34 g/mol
LogP2.48
Rot. Bonds7

About (Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide

(Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide (PubChem CID 143447036) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide.

Molecular Properties

Compound Name(Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide
PubChem CID143447036
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide
SMILESC#CC(/C=C\N=C\C)CCNC(=O)C(=C)/C=C\C
InChIInChI=1S/C15H20N2O/c1-5-8-13(4)15(18)17-12-10-14(6-2)9-11-16-7-3/h2,5,7-9,11,14H,4,10,12H2,1,3H3,(H,17,18)/b8-5-,11-9-,16-7+
InChIKeyKWLXQAUBUFPROT-VUESZHJKSA-N
XLogP2.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-4H-azepine-5-carboxamide
CID 156733129

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide?
The IUPAC name of (Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide (CID 143447036) is (Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide.
What is the SMILES notation for (Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide?
The canonical SMILES for (Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide is C#CC(/C=C\N=C\C)CCNC(=O)C(=C)/C=C\C.
What is the InChIKey of (Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide?
The InChIKey is KWLXQAUBUFPROT-VUESZHJKSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-8-13(4)15(18)17-12-10-14(6-2)9-11-16-7-3/h2,5,7-9,11,14H,4,10,12H2,1,3H3,(H,17,18)/b8-5-,11-9-,16-7+.
What are the key properties of (Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide?
(Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide has a molecular weight of 244.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-5-(ethylideneamino)-3-ethynylpent-4-enyl]-2-methylidenepent-3-enamide is sourced from PubChem (CID 143447036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).