N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene

C9H15N — CID 156743792

IUPACN-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene
SMILESC=CC.C=CC(=C)/C=N/C
InChIInChI=1S/C6H9N.C3H6/c1-4-6(2)5-7-3;1-3-2/h4-5H,1-2H2,3H3;3H,1H2,2H3/b7-5+;
InChIKeyGDCHUBZKWGOCBS-GZOLSCHFSA-N
MW137.23 g/mol
LogP2.62
Rot. Bonds2

About N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene

N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene (PubChem CID 156743792) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene.

Molecular Properties

Compound NameN-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene
PubChem CID156743792
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene
SMILESC=CC.C=CC(=C)/C=N/C
InChIInChI=1S/C6H9N.C3H6/c1-4-6(2)5-7-3;1-3-2/h4-5H,1-2H2,3H3;3H,1H2,2H3/b7-5+;
InChIKeyGDCHUBZKWGOCBS-GZOLSCHFSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene?
The IUPAC name of N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene (CID 156743792) is N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene.
What is the SMILES notation for N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene?
The canonical SMILES for N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene is C=CC.C=CC(=C)/C=N/C.
What is the InChIKey of N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene?
The InChIKey is GDCHUBZKWGOCBS-GZOLSCHFSA-N. The full InChI is InChI=1S/C6H9N.C3H6/c1-4-6(2)5-7-3;1-3-2/h4-5H,1-2H2,3H3;3H,1H2,2H3/b7-5+;.
What are the key properties of N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene?
N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene has a molecular weight of 137.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidenebut-3-en-1-imine;prop-1-ene is sourced from PubChem (CID 156743792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).