(Z)-4-amino-2-propan-2-yliminobut-3-enal

C7H12N2O — CID 169172556

IUPAC(Z)-4-amino-2-propan-2-yliminobut-3-enal
SMILESCC(C)/N=C(C=O)/C=C\N
InChIInChI=1S/C7H12N2O/c1-6(2)9-7(5-10)3-4-8/h3-6H,8H2,1-2H3/b4-3-,9-7-
InChIKeyBMJZQRGXFCIOBS-DDYVKQNKSA-N
MW140.19 g/mol
LogP0.51
Rot. Bonds3

About (Z)-4-amino-2-propan-2-yliminobut-3-enal

(Z)-4-amino-2-propan-2-yliminobut-3-enal (PubChem CID 169172556) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (Z)-4-amino-2-propan-2-yliminobut-3-enal.

Molecular Properties

Compound Name(Z)-4-amino-2-propan-2-yliminobut-3-enal
PubChem CID169172556
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(Z)-4-amino-2-propan-2-yliminobut-3-enal
SMILESCC(C)/N=C(C=O)/C=C\N
InChIInChI=1S/C7H12N2O/c1-6(2)9-7(5-10)3-4-8/h3-6H,8H2,1-2H3/b4-3-,9-7-
InChIKeyBMJZQRGXFCIOBS-DDYVKQNKSA-N
XLogP0.51
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-propan-2-yliminobut-3-enal?
The IUPAC name of (Z)-4-amino-2-propan-2-yliminobut-3-enal (CID 169172556) is (Z)-4-amino-2-propan-2-yliminobut-3-enal.
What is the SMILES notation for (Z)-4-amino-2-propan-2-yliminobut-3-enal?
The canonical SMILES for (Z)-4-amino-2-propan-2-yliminobut-3-enal is CC(C)/N=C(C=O)/C=C\N.
What is the InChIKey of (Z)-4-amino-2-propan-2-yliminobut-3-enal?
The InChIKey is BMJZQRGXFCIOBS-DDYVKQNKSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)9-7(5-10)3-4-8/h3-6H,8H2,1-2H3/b4-3-,9-7-.
What are the key properties of (Z)-4-amino-2-propan-2-yliminobut-3-enal?
(Z)-4-amino-2-propan-2-yliminobut-3-enal has a molecular weight of 140.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-propan-2-yliminobut-3-enal is sourced from PubChem (CID 169172556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).