2-[(E)-but-2-en-2-yl]-1-methylideneguanidine

C6H11N3 — CID 91577824

IUPAC2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
SMILESC=N/C(N)=N\C(C)=C\C
InChIInChI=1S/C6H11N3/c1-4-5(2)9-6(7)8-3/h4H,3H2,1-2H3,(H2,7,9)/b5-4+
InChIKeyJRHOXMBQIUOGJY-SNAWJCMRSA-N
MW125.17 g/mol
LogP0.93
Rot. Bonds1

About 2-[(E)-but-2-en-2-yl]-1-methylideneguanidine

2-[(E)-but-2-en-2-yl]-1-methylideneguanidine (PubChem CID 91577824) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-1-methylideneguanidine.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
PubChem CID91577824
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
SMILESC=N/C(N)=N\C(C)=C\C
InChIInChI=1S/C6H11N3/c1-4-5(2)9-6(7)8-3/h4H,3H2,1-2H3,(H2,7,9)/b5-4+
InChIKeyJRHOXMBQIUOGJY-SNAWJCMRSA-N
XLogP0.93
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
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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Related Compounds

N'-prop-1-en-2-ylmethanimidamide
CID 15791485
2-[(2E)-penta-2,4-dien-2-yl]guanidine
CID 58082055
N'-(cyclopropen-1-yl)methanimidamide
CID 68267135
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109
N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide
CID 89362422
N'-[(E)-hex-3-en-3-yl]methanimidamide
CID 89423506
N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide
CID 117919184
N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 121462325
N'-[(E)-but-2-en-2-yl]methanimidamide
CID 123223084
N'-[(Z)-but-2-en-2-yl]carbamimidoyl chloride
CID 123333180
N'-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123377787
1-Methylidene-2-prop-1-en-2-ylguanidine
CID 123445193

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-1-methylideneguanidine?
The IUPAC name of 2-[(E)-but-2-en-2-yl]-1-methylideneguanidine (CID 91577824) is 2-[(E)-but-2-en-2-yl]-1-methylideneguanidine.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-1-methylideneguanidine?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]-1-methylideneguanidine is C=N/C(N)=N\C(C)=C\C.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]-1-methylideneguanidine?
The InChIKey is JRHOXMBQIUOGJY-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5(2)9-6(7)8-3/h4H,3H2,1-2H3,(H2,7,9)/b5-4+.
What are the key properties of 2-[(E)-but-2-en-2-yl]-1-methylideneguanidine?
2-[(E)-but-2-en-2-yl]-1-methylideneguanidine has a molecular weight of 125.17 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]-1-methylideneguanidine is sourced from PubChem (CID 91577824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).