N'-[(Z)-but-2-en-2-yl]methanimidamide

C5H10N2 — CID 123841719

IUPACN'-[(Z)-but-2-en-2-yl]methanimidamide
SMILESC/C=C(C)\N=C\N
InChIInChI=1S/C5H10N2/c1-3-5(2)7-4-6/h3-4H,1-2H3,(H2,6,7)/b5-3-
InChIKeyMJKPRSUXOAIASR-HYXAFXHYSA-N
MW98.15 g/mol
LogP0.90
Rot. Bonds1

About N'-[(Z)-but-2-en-2-yl]methanimidamide

N'-[(Z)-but-2-en-2-yl]methanimidamide (PubChem CID 123841719) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]methanimidamide
PubChem CID123841719
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN'-[(Z)-but-2-en-2-yl]methanimidamide
SMILESC/C=C(C)\N=C\N
InChIInChI=1S/C5H10N2/c1-3-5(2)7-4-6/h3-4H,1-2H3,(H2,6,7)/b5-3-
InChIKeyMJKPRSUXOAIASR-HYXAFXHYSA-N
XLogP0.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.90
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
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
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-[(E)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 90807212
N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 90809121
N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 91073964
2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
CID 91577824
N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide
CID 117919184
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-2-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]methanimidamide (CID 123841719) is N'-[(Z)-but-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]methanimidamide is C/C=C(C)\N=C\N.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]methanimidamide?
The InChIKey is MJKPRSUXOAIASR-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-5(2)7-4-6/h3-4H,1-2H3,(H2,6,7)/b5-3-.
What are the key properties of N'-[(Z)-but-2-en-2-yl]methanimidamide?
N'-[(Z)-but-2-en-2-yl]methanimidamide has a molecular weight of 98.15 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]methanimidamide is sourced from PubChem (CID 123841719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).