ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone

C14H26N2O — CID 142586837

IUPACethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone
SMILESC=N/C=C\C=C1/CCN(C(C)=O)C1.CC.CC
InChIInChI=1S/C10H14N2O.2C2H6/c1-9(13)12-7-5-10(8-12)4-3-6-11-2;2*1-2/h3-4,6H,2,5,7-8H2,1H3;2*1-2H3/b6-3-,10-4+;;
InChIKeyFOXLCXANSXSHNP-JFWWFGSPSA-N
MW238.37 g/mol
LogP3.43
Rot. Bonds2

About ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone

ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone (PubChem CID 142586837) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone
PubChem CID142586837
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Nameethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone
SMILESC=N/C=C\C=C1/CCN(C(C)=O)C1.CC.CC
InChIInChI=1S/C10H14N2O.2C2H6/c1-9(13)12-7-5-10(8-12)4-3-6-11-2;2*1-2/h3-4,6H,2,5,7-8H2,1H3;2*1-2H3/b6-3-,10-4+;;
InChIKeyFOXLCXANSXSHNP-JFWWFGSPSA-N
XLogP3.43
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone?
The IUPAC name of ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone (CID 142586837) is ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone is C=N/C=C\C=C1/CCN(C(C)=O)C1.CC.CC.
What is the InChIKey of ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone?
The InChIKey is FOXLCXANSXSHNP-JFWWFGSPSA-N. The full InChI is InChI=1S/C10H14N2O.2C2H6/c1-9(13)12-7-5-10(8-12)4-3-6-11-2;2*1-2/h3-4,6H,2,5,7-8H2,1H3;2*1-2H3/b6-3-,10-4+;;.
What are the key properties of ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone?
ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone has a molecular weight of 238.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 142586837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).