1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine

C10H14N2 — CID 144512537

IUPAC1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine
SMILESC=c1[nH]c(/C=N/C)c(C)/c1=C/C
InChIInChI=1S/C10H14N2/c1-5-9-7(2)10(6-11-4)12-8(9)3/h5-6,12H,3H2,1-2,4H3/b9-5-,11-6+
InChIKeyAVGHCDBPRRAYQN-YCQMDOFOSA-N
MW162.24 g/mol
LogP0.58
Rot. Bonds1

About 1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine

1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine (PubChem CID 144512537) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine
PubChem CID144512537
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine
SMILESC=c1[nH]c(/C=N/C)c(C)/c1=C/C
InChIInChI=1S/C10H14N2/c1-5-9-7(2)10(6-11-4)12-8(9)3/h5-6,12H,3H2,1-2,4H3/b9-5-,11-6+
InChIKeyAVGHCDBPRRAYQN-YCQMDOFOSA-N
XLogP0.58
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine
CID 19826811
N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine
CID 70673536
N-methyl-1-(2-methylidene-6-prop-1-en-2-yl-1,3-dihydroazepin-7-yl)methanimine
CID 129144729
2-methylidene-5,6-dihydro-1H-1,7-naphthyridine
CID 129145137
N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine
CID 129231573
N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine
CID 137099385
(3Z,5E)-7-[(3E,5Z)-3-methylhepta-3,5-dienyl]imino-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
CID 138498194
(4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine
CID 139438549
4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane
CID 142150605
ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
CID 142955167
(4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine
CID 143181453
(Z)-2-(2-ethyl-1,7-dihydropyrrolo[2,3-d]azepin-3-yl)-N-methylethenamine
CID 143295815

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine?
The IUPAC name of 1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine (CID 144512537) is 1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine?
The canonical SMILES for 1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine is C=c1[nH]c(/C=N/C)c(C)/c1=C/C.
What is the InChIKey of 1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine?
The InChIKey is AVGHCDBPRRAYQN-YCQMDOFOSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-9-7(2)10(6-11-4)12-8(9)3/h5-6,12H,3H2,1-2,4H3/b9-5-,11-6+.
What are the key properties of 1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine?
1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine has a molecular weight of 162.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine is sourced from PubChem (CID 144512537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).