(Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide

C17H25N3O — CID 155056258

IUPAC(Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide
SMILESC=C1/C=C\C(C(C)/C=C(/C)C(=O)N(C)C)=C/C/N=C(/C)N1
InChIInChI=1S/C17H25N3O/c1-12(11-13(2)17(21)20(5)6)16-8-7-14(3)19-15(4)18-10-9-16/h7-9,11-12H,3,10H2,1-2,4-6H3,(H,18,19)/b8-7-,13-11-,16-9+
InChIKeyDCLTUDNQQNXDGQ-AXVNGCBNSA-N
MW287.41 g/mol
LogP2.67
Rot. Bonds3

About (Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide

(Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide (PubChem CID 155056258) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide
PubChem CID155056258
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide
SMILESC=C1/C=C\C(C(C)/C=C(/C)C(=O)N(C)C)=C/C/N=C(/C)N1
InChIInChI=1S/C17H25N3O/c1-12(11-13(2)17(21)20(5)6)16-8-7-14(3)19-15(4)18-10-9-16/h7-9,11-12H,3,10H2,1-2,4-6H3,(H,18,19)/b8-7-,13-11-,16-9+
InChIKeyDCLTUDNQQNXDGQ-AXVNGCBNSA-N
XLogP2.67
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide?
The IUPAC name of (Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide (CID 155056258) is (Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide.
What is the SMILES notation for (Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide?
The canonical SMILES for (Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide is C=C1/C=C\C(C(C)/C=C(/C)C(=O)N(C)C)=C/C/N=C(/C)N1.
What is the InChIKey of (Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide?
The InChIKey is DCLTUDNQQNXDGQ-AXVNGCBNSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(11-13(2)17(21)20(5)6)16-8-7-14(3)19-15(4)18-10-9-16/h7-9,11-12H,3,10H2,1-2,4-6H3,(H,18,19)/b8-7-,13-11-,16-9+.
What are the key properties of (Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide?
(Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide has a molecular weight of 287.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N,2-trimethyl-4-[(5E,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-yl]pent-2-enamide is sourced from PubChem (CID 155056258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).