(3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium

C8H15N2O+ — CID 163849135

IUPAC(3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium
SMILESCC(C)=C(C)[NH2+]C=CC(N)=O
InChIInChI=1S/C8H14N2O/c1-6(2)7(3)10-5-4-8(9)11/h4-5,10H,1-3H3,(H2,9,11)/p+1
InChIKeyOSUKQANGFSGYQO-UHFFFAOYSA-O
MW155.22 g/mol
LogP-0.14
Rot. Bonds3

About (3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium

(3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium (PubChem CID 163849135) has the molecular formula C8H15N2O+ and a molecular weight of 155.22 g/mol. Its IUPAC name is (3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium.

Molecular Properties

Compound Name(3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium
PubChem CID163849135
Molecular FormulaC8H15N2O+
Molecular Weight155.22 g/mol
Exact Mass155.12
IUPAC Name(3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium
SMILESCC(C)=C(C)[NH2+]C=CC(N)=O
InChIInChI=1S/C8H14N2O/c1-6(2)7(3)10-5-4-8(9)11/h4-5,10H,1-3H3,(H2,9,11)/p+1
InChIKeyOSUKQANGFSGYQO-UHFFFAOYSA-O
XLogP-0.14
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium?
The IUPAC name of (3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium (CID 163849135) is (3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium.
What is the SMILES notation for (3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium?
The canonical SMILES for (3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium is CC(C)=C(C)[NH2+]C=CC(N)=O.
What is the InChIKey of (3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium?
The InChIKey is OSUKQANGFSGYQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2O/c1-6(2)7(3)10-5-4-8(9)11/h4-5,10H,1-3H3,(H2,9,11)/p+1.
What are the key properties of (3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium?
(3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium has a molecular weight of 155.22 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium is sourced from PubChem (CID 163849135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).