ethane;N-ethenylethanimine;(Z)-pent-2-ene

C11H23N — CID 142112012

IUPACethane;N-ethenylethanimine;(Z)-pent-2-ene
SMILESC/C=C\CC.C=C/N=C/C.CC
InChIInChI=1S/C5H10.C4H7N.C2H6/c2*1-3-5-4-2;1-2/h3,5H,4H2,1-2H3;3-4H,1H2,2H3;1-2H3/b5-3-;5-4+;
InChIKeyMZBQVTBLYYJAGP-OOOVCIGXSA-N
MW169.31 g/mol
LogP4.22
Rot. Bonds2

About ethane;N-ethenylethanimine;(Z)-pent-2-ene

ethane;N-ethenylethanimine;(Z)-pent-2-ene (PubChem CID 142112012) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;N-ethenylethanimine;(Z)-pent-2-ene.

Molecular Properties

Compound Nameethane;N-ethenylethanimine;(Z)-pent-2-ene
PubChem CID142112012
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;N-ethenylethanimine;(Z)-pent-2-ene
SMILESC/C=C\CC.C=C/N=C/C.CC
InChIInChI=1S/C5H10.C4H7N.C2H6/c2*1-3-5-4-2;1-2/h3,5H,4H2,1-2H3;3-4H,1H2,2H3;1-2H3/b5-3-;5-4+;
InChIKeyMZBQVTBLYYJAGP-OOOVCIGXSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine
CID 143003949
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene
CID 143532055
(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
CID 171558229
3-Methyl-3-(1-propenyl)pyrrole
CID 129786932
(2Z,6Z)-4,5-dihydroazocine
CID 18424410
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
N-but-1-enylbutan-1-imine
CID 53833808
N-pent-1-enylpentan-1-imine
CID 53963202
ethane;3H-pyrrole
CID 54050481
ethane;3H-pyrrole
CID 54102107
N-hexa-1,3-dienylhex-3-en-1-imine
CID 56629480

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenylethanimine;(Z)-pent-2-ene?
The IUPAC name of ethane;N-ethenylethanimine;(Z)-pent-2-ene (CID 142112012) is ethane;N-ethenylethanimine;(Z)-pent-2-ene.
What is the SMILES notation for ethane;N-ethenylethanimine;(Z)-pent-2-ene?
The canonical SMILES for ethane;N-ethenylethanimine;(Z)-pent-2-ene is C/C=C\CC.C=C/N=C/C.CC.
What is the InChIKey of ethane;N-ethenylethanimine;(Z)-pent-2-ene?
The InChIKey is MZBQVTBLYYJAGP-OOOVCIGXSA-N. The full InChI is InChI=1S/C5H10.C4H7N.C2H6/c2*1-3-5-4-2;1-2/h3,5H,4H2,1-2H3;3-4H,1H2,2H3;1-2H3/b5-3-;5-4+;.
What are the key properties of ethane;N-ethenylethanimine;(Z)-pent-2-ene?
ethane;N-ethenylethanimine;(Z)-pent-2-ene has a molecular weight of 169.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylethanimine;(Z)-pent-2-ene is sourced from PubChem (CID 142112012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).