ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine

C9H16N2 — CID 142955167

IUPACethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
SMILESCC.[H]/N=C/C1=C(C=C)CCN1
InChIInChI=1S/C7H10N2.C2H6/c1-2-6-3-4-9-7(6)5-8;1-2/h2,5,8-9H,1,3-4H2;1-2H3/b8-5+;
InChIKeyQAESAPBDSNVWGU-HAAWTFQLSA-N
MW152.24 g/mol
LogP2.10
Rot. Bonds2

About ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine

ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine (PubChem CID 142955167) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine.

Molecular Properties

Compound Nameethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
PubChem CID142955167
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nameethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
SMILESCC.[H]/N=C/C1=C(C=C)CCN1
InChIInChI=1S/C7H10N2.C2H6/c1-2-6-3-4-9-7(6)5-8;1-2/h2,5,8-9H,1,3-4H2;1-2H3/b8-5+;
InChIKeyQAESAPBDSNVWGU-HAAWTFQLSA-N
XLogP2.10
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
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;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The IUPAC name of ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine (CID 142955167) is ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine.
What is the SMILES notation for ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The canonical SMILES for ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine is CC.[H]/N=C/C1=C(C=C)CCN1.
What is the InChIKey of ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The InChIKey is QAESAPBDSNVWGU-HAAWTFQLSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c1-2-6-3-4-9-7(6)5-8;1-2/h2,5,8-9H,1,3-4H2;1-2H3/b8-5+;.
What are the key properties of ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine has a molecular weight of 152.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine is sourced from PubChem (CID 142955167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).