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

C8H14N2 — CID 118900941

IUPACN-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide
SMILESC=C/N=C/N(C)/C(C)=C\C
InChIInChI=1S/C8H14N2/c1-5-8(3)10(4)7-9-6-2/h5-7H,2H2,1,3-4H3/b8-5-,9-7+
InChIKeyOXPGYHFGSQLYLE-ANVCMGODSA-N
MW138.21 g/mol
LogP2.01
Rot. Bonds3

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

N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide (PubChem CID 118900941) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide
PubChem CID118900941
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide
SMILESC=C/N=C/N(C)/C(C)=C\C
InChIInChI=1S/C8H14N2/c1-5-8(3)10(4)7-9-6-2/h5-7H,2H2,1,3-4H3/b8-5-,9-7+
InChIKeyOXPGYHFGSQLYLE-ANVCMGODSA-N
XLogP2.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.01
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 N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide (CID 118900941) is N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide is C=C/N=C/N(C)/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide?
The InChIKey is OXPGYHFGSQLYLE-ANVCMGODSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8(3)10(4)7-9-6-2/h5-7H,2H2,1,3-4H3/b8-5-,9-7+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide?
N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide is sourced from PubChem (CID 118900941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).