2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine

C8H13N3 — CID 129196130

IUPAC2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine
SMILESC=C/N=C(\N=C)N(C)/C=C\C
InChIInChI=1S/C8H13N3/c1-5-7-11(4)8(9-3)10-6-2/h5-7H,2-3H2,1,4H3/b7-5-,10-8+
InChIKeySVYARTZJCJKWEZ-SUTBWYPISA-N
MW151.21 g/mol
LogP1.65
Rot. Bonds2

About 2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine

2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine (PubChem CID 129196130) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine.

Molecular Properties

Compound Name2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine
PubChem CID129196130
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine
SMILESC=C/N=C(\N=C)N(C)/C=C\C
InChIInChI=1S/C8H13N3/c1-5-7-11(4)8(9-3)10-6-2/h5-7H,2-3H2,1,4H3/b7-5-,10-8+
InChIKeySVYARTZJCJKWEZ-SUTBWYPISA-N
XLogP1.65
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine?
The IUPAC name of 2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine (CID 129196130) is 2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine.
What is the SMILES notation for 2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine?
The canonical SMILES for 2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine is C=C/N=C(\N=C)N(C)/C=C\C.
What is the InChIKey of 2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine?
The InChIKey is SVYARTZJCJKWEZ-SUTBWYPISA-N. The full InChI is InChI=1S/C8H13N3/c1-5-7-11(4)8(9-3)10-6-2/h5-7H,2-3H2,1,4H3/b7-5-,10-8+.
What are the key properties of 2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine?
2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine has a molecular weight of 151.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methyl-3-methylidene-1-[(Z)-prop-1-enyl]guanidine is sourced from PubChem (CID 129196130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).