(Z)-5-ethynyliminopent-3-en-1-amine

C7H10N2 — CID 89066955

IUPAC(Z)-5-ethynyliminopent-3-en-1-amine
SMILESC#C/N=C/C=C\CCN
InChIInChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8/h1,3,5,7H,4,6,8H2/b5-3-,9-7+
InChIKeyDLPDAFRFPOPURS-AACIIYHXSA-N
MW122.17 g/mol
LogP0.55
Rot. Bonds3

About (Z)-5-ethynyliminopent-3-en-1-amine

(Z)-5-ethynyliminopent-3-en-1-amine (PubChem CID 89066955) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (Z)-5-ethynyliminopent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-ethynyliminopent-3-en-1-amine
PubChem CID89066955
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(Z)-5-ethynyliminopent-3-en-1-amine
SMILESC#C/N=C/C=C\CCN
InChIInChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8/h1,3,5,7H,4,6,8H2/b5-3-,9-7+
InChIKeyDLPDAFRFPOPURS-AACIIYHXSA-N
XLogP0.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethynyliminopent-3-en-1-amine?
The IUPAC name of (Z)-5-ethynyliminopent-3-en-1-amine (CID 89066955) is (Z)-5-ethynyliminopent-3-en-1-amine.
What is the SMILES notation for (Z)-5-ethynyliminopent-3-en-1-amine?
The canonical SMILES for (Z)-5-ethynyliminopent-3-en-1-amine is C#C/N=C/C=C\CCN.
What is the InChIKey of (Z)-5-ethynyliminopent-3-en-1-amine?
The InChIKey is DLPDAFRFPOPURS-AACIIYHXSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8/h1,3,5,7H,4,6,8H2/b5-3-,9-7+.
What are the key properties of (Z)-5-ethynyliminopent-3-en-1-amine?
(Z)-5-ethynyliminopent-3-en-1-amine has a molecular weight of 122.17 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethynyliminopent-3-en-1-amine is sourced from PubChem (CID 89066955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).