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

C9H16N2 — CID 142434144

IUPACethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
SMILESC=CC1=C(N=C)NCC1.CC
InChIInChI=1S/C7H10N2.C2H6/c1-3-6-4-5-9-7(6)8-2;1-2/h3,9H,1-2,4-5H2;1-2H3
InChIKeyQRXWCBBHFDQKBD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.10
Rot. Bonds2

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

ethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine (PubChem CID 142434144) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is ethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
PubChem CID142434144
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nameethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
SMILESC=CC1=C(N=C)NCC1.CC
InChIInChI=1S/C7H10N2.C2H6/c1-3-6-4-5-9-7(6)8-2;1-2/h3,9H,1-2,4-5H2;1-2H3
InChIKeyQRXWCBBHFDQKBD-UHFFFAOYSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
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 ≤ 51
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;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The IUPAC name of ethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine (CID 142434144) is ethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine.
What is the SMILES notation for ethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The canonical SMILES for ethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine is C=CC1=C(N=C)NCC1.CC.
What is the InChIKey of ethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The InChIKey is QRXWCBBHFDQKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c1-3-6-4-5-9-7(6)8-2;1-2/h3,9H,1-2,4-5H2;1-2H3.
What are the key properties of ethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
ethane;N-(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, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine is sourced from PubChem (CID 142434144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).