N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine

C9H12N2 — CID 137099385

IUPACN-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine
SMILESC=c1cc(C)[nH]c1=C/C=N/C
InChIInChI=1S/C9H12N2/c1-7-6-8(2)11-9(7)4-5-10-3/h4-6,11H,1H2,2-3H3/b9-4?,10-5+
InChIKeyPDLOHIVULCTULD-PBOGUKDESA-N
MW148.21 g/mol
LogP0.21
Rot. Bonds1

About N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine

N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine (PubChem CID 137099385) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine
PubChem CID137099385
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine
SMILESC=c1cc(C)[nH]c1=C/C=N/C
InChIInChI=1S/C9H12N2/c1-7-6-8(2)11-9(7)4-5-10-3/h4-6,11H,1H2,2-3H3/b9-4?,10-5+
InChIKeyPDLOHIVULCTULD-PBOGUKDESA-N
XLogP0.21
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.21
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

8-(fluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 142393205
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
(6Z)-1H-Pyrrolo[2,3-d]azocine
CID 121232937
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyridin-3-amine
CID 87171102
(2Z)-2-(2,3-dihydro-1H-pyrrol-5-ylmethylidene)pyrrole
CID 88974484
N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine
CID 123150234
3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine
CID 123814073
(6Z)-N-methyl-5-methylidene-6-(3-methylidene-2-pyridinylidene)pyridin-3-amine
CID 123941426
(5Z,6E)-6-ethylidene-5-propylidenepyridin-3-amine
CID 126636008
N-methyl-1-(2-methylidene-6-prop-1-en-2-yl-1,3-dihydroazepin-7-yl)methanimine
CID 129144729
N-[(4E,5E)-4,5-di(ethylidene)-2-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethanimine
CID 129231573

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine?
The IUPAC name of N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine (CID 137099385) is N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine.
What is the SMILES notation for N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine?
The canonical SMILES for N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine is C=c1cc(C)[nH]c1=C/C=N/C.
What is the InChIKey of N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine?
The InChIKey is PDLOHIVULCTULD-PBOGUKDESA-N. The full InChI is InChI=1S/C9H12N2/c1-7-6-8(2)11-9(7)4-5-10-3/h4-6,11H,1H2,2-3H3/b9-4?,10-5+.
What are the key properties of N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine?
N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine has a molecular weight of 148.21 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-3-methylidene-1H-pyrrol-2-ylidene)ethanimine is sourced from PubChem (CID 137099385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).