N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide

C9H12N2 — CID 89493087

IUPACN-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide
SMILES[H]/N=C(C#CC)/N=C/C(C)=C\C
InChIInChI=1S/C9H12N2/c1-4-6-9(10)11-7-8(3)5-2/h5,7,10H,1-3H3/b8-5-,10-9+,11-7+
InChIKeyQGQCWJXYCMQJCR-ANTQSHTOSA-N
MW148.21 g/mol
LogP2.02
Rot. Bonds1

About N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide

N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide (PubChem CID 89493087) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide.

Molecular Properties

Compound NameN-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide
PubChem CID89493087
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide
SMILES[H]/N=C(C#CC)/N=C/C(C)=C\C
InChIInChI=1S/C9H12N2/c1-4-6-9(10)11-7-8(3)5-2/h5,7,10H,1-3H3/b8-5-,10-9+,11-7+
InChIKeyQGQCWJXYCMQJCR-ANTQSHTOSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.02
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide?
The IUPAC name of N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide (CID 89493087) is N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide.
What is the SMILES notation for N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide?
The canonical SMILES for N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide is [H]/N=C(C#CC)/N=C/C(C)=C\C.
What is the InChIKey of N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide?
The InChIKey is QGQCWJXYCMQJCR-ANTQSHTOSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-6-9(10)11-7-8(3)5-2/h5,7,10H,1-3H3/b8-5-,10-9+,11-7+.
What are the key properties of N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide?
N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide has a molecular weight of 148.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide is sourced from PubChem (CID 89493087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).