ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine

C12H18N2 — CID 143341013

IUPACethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
SMILESCC.[H]/N=C/c1c[nH]c(C=C)c1/C=C\C
InChIInChI=1S/C10H12N2.C2H6/c1-3-5-9-8(6-11)7-12-10(9)4-2;1-2/h3-7,11-12H,2H2,1H3;1-2H3/b5-3-,11-6+;
InChIKeyGQUYXXRWLOZHMW-GHFGPCLASA-N
MW190.29 g/mol
LogP3.71
Rot. Bonds3

About ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine

ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine (PubChem CID 143341013) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine.

Molecular Properties

Compound Nameethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
PubChem CID143341013
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Nameethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
SMILESCC.[H]/N=C/c1c[nH]c(C=C)c1/C=C\C
InChIInChI=1S/C10H12N2.C2H6/c1-3-5-9-8(6-11)7-12-10(9)4-2;1-2/h3-7,11-12H,2H2,1H3;1-2H3/b5-3-,11-6+;
InChIKeyGQUYXXRWLOZHMW-GHFGPCLASA-N
XLogP3.71
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
CID 142428600
4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
CID 169200071
(2-ethenyl-1H-pyrrol-3-yl)methanimine
CID 142384190
[4-tert-butyl-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
CID 155118491
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
CID 143749630
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 144556832
4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 89154188
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine
CID 145322463
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one
CID 143270524

Frequently Asked Questions

What is the IUPAC name of ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine?
The IUPAC name of ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine (CID 143341013) is ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine.
What is the SMILES notation for ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine?
The canonical SMILES for ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine is CC.[H]/N=C/c1c[nH]c(C=C)c1/C=C\C.
What is the InChIKey of ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine?
The InChIKey is GQUYXXRWLOZHMW-GHFGPCLASA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-3-5-9-8(6-11)7-12-10(9)4-2;1-2/h3-7,11-12H,2H2,1H3;1-2H3/b5-3-,11-6+;.
What are the key properties of ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine?
ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine has a molecular weight of 190.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine is sourced from PubChem (CID 143341013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).