N-but-3-en-2-ylidenemethanimidamide

C5H8N2 — CID 143403077

IUPACN-but-3-en-2-ylidenemethanimidamide
SMILES[H]/N=C/N=C(\C)C=C
InChIInChI=1S/C5H8N2/c1-3-5(2)7-4-6/h3-4,6H,1H2,2H3/b6-4+,7-5+
InChIKeyPIPOJAFFVCXKNO-YDFGWWAZSA-N
MW96.13 g/mol
LogP1.24
Rot. Bonds2

About N-but-3-en-2-ylidenemethanimidamide

N-but-3-en-2-ylidenemethanimidamide (PubChem CID 143403077) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N-but-3-en-2-ylidenemethanimidamide.

Molecular Properties

Compound NameN-but-3-en-2-ylidenemethanimidamide
PubChem CID143403077
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN-but-3-en-2-ylidenemethanimidamide
SMILES[H]/N=C/N=C(\C)C=C
InChIInChI=1S/C5H8N2/c1-3-5(2)7-4-6/h3-4,6H,1H2,2H3/b6-4+,7-5+
InChIKeyPIPOJAFFVCXKNO-YDFGWWAZSA-N
XLogP1.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-ylidenemethanimidamide?
The IUPAC name of N-but-3-en-2-ylidenemethanimidamide (CID 143403077) is N-but-3-en-2-ylidenemethanimidamide.
What is the SMILES notation for N-but-3-en-2-ylidenemethanimidamide?
The canonical SMILES for N-but-3-en-2-ylidenemethanimidamide is [H]/N=C/N=C(\C)C=C.
What is the InChIKey of N-but-3-en-2-ylidenemethanimidamide?
The InChIKey is PIPOJAFFVCXKNO-YDFGWWAZSA-N. The full InChI is InChI=1S/C5H8N2/c1-3-5(2)7-4-6/h3-4,6H,1H2,2H3/b6-4+,7-5+.
What are the key properties of N-but-3-en-2-ylidenemethanimidamide?
N-but-3-en-2-ylidenemethanimidamide has a molecular weight of 96.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-ylidenemethanimidamide is sourced from PubChem (CID 143403077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).