N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine

C10H16N2 — CID 135182983

IUPACN-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine
SMILESC=NC1=C(C(C)C)C(=C)N(C)C1
InChIInChI=1S/C10H16N2/c1-7(2)10-8(3)12(5)6-9(10)11-4/h7H,3-4,6H2,1-2,5H3
InChIKeyPOFTWOBRHOUGMP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.06
Rot. Bonds2

About N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine

N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine (PubChem CID 135182983) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine
PubChem CID135182983
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine
SMILESC=NC1=C(C(C)C)C(=C)N(C)C1
InChIInChI=1S/C10H16N2/c1-7(2)10-8(3)12(5)6-9(10)11-4/h7H,3-4,6H2,1-2,5H3
InChIKeyPOFTWOBRHOUGMP-UHFFFAOYSA-N
XLogP2.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
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 N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine?
The IUPAC name of N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine (CID 135182983) is N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine.
What is the SMILES notation for N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine?
The canonical SMILES for N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine is C=NC1=C(C(C)C)C(=C)N(C)C1.
What is the InChIKey of N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine?
The InChIKey is POFTWOBRHOUGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)10-8(3)12(5)6-9(10)11-4/h7H,3-4,6H2,1-2,5H3.
What are the key properties of N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine?
N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine has a molecular weight of 164.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-methylidene-4-propan-2-yl-2H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 135182983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).