ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one

C15H27N3O — CID 143577269

IUPACethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one
SMILESC=C/C=C1/CCN(C)C(=O)N/C1=N\C=C.CC.CC
InChIInChI=1S/C11H15N3O.2C2H6/c1-4-6-9-7-8-14(3)11(15)13-10(9)12-5-2;2*1-2/h4-6H,1-2,7-8H2,3H3,(H,12,13,15);2*1-2H3/b9-6-;;
InChIKeyBKIWUUNEQOXKEC-MPTFJDTDSA-N
MW265.40 g/mol
LogP3.74
Rot. Bonds2

About ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one

ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one (PubChem CID 143577269) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one.

Molecular Properties

Compound Nameethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one
PubChem CID143577269
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Nameethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one
SMILESC=C/C=C1/CCN(C)C(=O)N/C1=N\C=C.CC.CC
InChIInChI=1S/C11H15N3O.2C2H6/c1-4-6-9-7-8-14(3)11(15)13-10(9)12-5-2;2*1-2/h4-6H,1-2,7-8H2,3H3,(H,12,13,15);2*1-2H3/b9-6-;;
InChIKeyBKIWUUNEQOXKEC-MPTFJDTDSA-N
XLogP3.74
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine
CID 170763545
ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448
(3E,4Z)-3-ethylidene-1-methyl-4-prop-2-enylidenepiperidine
CID 89468901
(2E,3Z)-2,3-bis(prop-2-enylidene)pyrrolidine-1-carbothioamide;ethane
CID 145490659
ethane;1-methyl-2-methylideneazetidine
CID 166532028
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 143778310
ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
(3Z)-N-methyl-3-prop-2-enylidenepiperidin-2-imine;propane
CID 143201854
1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
CID 172570074
ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3-diazinane-2,4-dione
CID 171565229
1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine
CID 160619641
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
CID 145152777

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one?
The IUPAC name of ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one (CID 143577269) is ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one.
What is the SMILES notation for ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one?
The canonical SMILES for ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one is C=C/C=C1/CCN(C)C(=O)N/C1=N\C=C.CC.CC.
What is the InChIKey of ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one?
The InChIKey is BKIWUUNEQOXKEC-MPTFJDTDSA-N. The full InChI is InChI=1S/C11H15N3O.2C2H6/c1-4-6-9-7-8-14(3)11(15)13-10(9)12-5-2;2*1-2/h4-6H,1-2,7-8H2,3H3,(H,12,13,15);2*1-2H3/b9-6-;;.
What are the key properties of ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one?
ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one is sourced from PubChem (CID 143577269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).