ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine

C12H22N2 — CID 145001490

IUPACethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine
SMILESC=CC1=C(/N=C/CC)CN(C)C1.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-6-11-10-8-12(3)7-9(10)5-2;1-2/h5-6H,2,4,7-8H2,1,3H3;1-2H3/b11-6+;
InChIKeyMMFCUBJODAIRHC-ICSBZGNSSA-N
MW194.32 g/mol
LogP2.88
Rot. Bonds3

About ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine

ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine (PubChem CID 145001490) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine.

Molecular Properties

Compound Nameethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine
PubChem CID145001490
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine
SMILESC=CC1=C(/N=C/CC)CN(C)C1.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-6-11-10-8-12(3)7-9(10)5-2;1-2/h5-6H,2,4,7-8H2,1,3H3;1-2H3/b11-6+;
InChIKeyMMFCUBJODAIRHC-ICSBZGNSSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine
CID 134286718
3,3,7-Trimethyl-6,8-dihydropyrrolo[3,4-b]azepine
CID 143655132
3,7-dimethyl-6,8-dihydro-3H-pyrrolo[3,4-b]azepine
CID 143655314
N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine
CID 143795847
7-methyl-6,8-dihydro-3H-pyrrolo[3,4-b]azepine
CID 144148481
N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)methanimine
CID 144396730
ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 144600040
ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
CID 145001459
N-(4-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 145471360
N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)ethanimine
CID 146788531
1-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
CID 148008643
ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
CID 155590146

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine?
The IUPAC name of ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine (CID 145001490) is ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine.
What is the SMILES notation for ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine?
The canonical SMILES for ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine is C=CC1=C(/N=C/CC)CN(C)C1.CC.
What is the InChIKey of ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine?
The InChIKey is MMFCUBJODAIRHC-ICSBZGNSSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-4-6-11-10-8-12(3)7-9(10)5-2;1-2/h5-6H,2,4,7-8H2,1,3H3;1-2H3/b11-6+;.
What are the key properties of ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine?
ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine has a molecular weight of 194.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)propan-1-imine is sourced from PubChem (CID 145001490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).