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

C10H14N2O — CID 142586838

IUPAC1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone
SMILESC=N/C=C\C=C1/CCN(C(C)=O)C1
InChIInChI=1S/C10H14N2O/c1-9(13)12-7-5-10(8-12)4-3-6-11-2/h3-4,6H,2,5,7-8H2,1H3/b6-3-,10-4+
InChIKeyQUDUKYPJZNRAJB-IABDMLOASA-N
MW178.23 g/mol
LogP1.38
Rot. Bonds2

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

1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone (PubChem CID 142586838) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone
PubChem CID142586838
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone
SMILESC=N/C=C\C=C1/CCN(C(C)=O)C1
InChIInChI=1S/C10H14N2O/c1-9(13)12-7-5-10(8-12)4-3-6-11-2/h3-4,6H,2,5,7-8H2,1H3/b6-3-,10-4+
InChIKeyQUDUKYPJZNRAJB-IABDMLOASA-N
XLogP1.38
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.38
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 1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone (CID 142586838) is 1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 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.
What is the InChIKey of 1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone?
The InChIKey is QUDUKYPJZNRAJB-IABDMLOASA-N. The full InChI is InChI=1S/C10H14N2O/c1-9(13)12-7-5-10(8-12)4-3-6-11-2/h3-4,6H,2,5,7-8H2,1H3/b6-3-,10-4+.
What are the key properties of 1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone?
1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone has a molecular weight of 178.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 142586838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).