(Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene

C11H21NO — CID 178015163

IUPAC(Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene
SMILESC/C=C\C.CCC(=O)/C=C(\N)CC
InChIInChI=1S/C7H13NO.C4H8/c1-3-6(8)5-7(9)4-2;1-3-4-2/h5H,3-4,8H2,1-2H3;3-4H,1-2H3/b6-5-;4-3-
InChIKeyRTZPUHXZMQVCAN-YCMZMBCZSA-N
MW183.29 g/mol
LogP2.80
Rot. Bonds3

About (Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene

(Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene (PubChem CID 178015163) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene.

Molecular Properties

Compound Name(Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene
PubChem CID178015163
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene
SMILESC/C=C\C.CCC(=O)/C=C(\N)CC
InChIInChI=1S/C7H13NO.C4H8/c1-3-6(8)5-7(9)4-2;1-3-4-2/h5H,3-4,8H2,1-2H3;3-4H,1-2H3/b6-5-;4-3-
InChIKeyRTZPUHXZMQVCAN-YCMZMBCZSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-aminopent-2-enoic acid
CID 21472497
4-aminohex-3-en-2-one
CID 57357968
(4Z,6E)-5-chloroocta-4,6-dien-3-one
CID 15719472
(Z)-5-hydroxyhept-4-en-3-one
CID 6912872
(E)-4-oxohex-2-enamide
CID 153226355
(E)-5-methyliminohex-3-en-3-amine
CID 171096126
(Z)-4-amino-2-methyliminohex-3-enoic acid
CID 145463357
(1E,3Z)-2,4-diaminohexa-1,3-diene-1-thiol
CID 146393049
cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)
CID 5483737
butane;bis(butan-2-one);but-2-ene
CID 158283643
[2-(acetyloxymethyl)-4-oxohex-2-enyl] acetate
CID 11195522
hex-4-en-3-one;methane;pentan-3-one
CID 160932179

Frequently Asked Questions

What is the IUPAC name of (Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene?
The IUPAC name of (Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene (CID 178015163) is (Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene.
What is the SMILES notation for (Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene?
The canonical SMILES for (Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene is C/C=C\C.CCC(=O)/C=C(\N)CC.
What is the InChIKey of (Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene?
The InChIKey is RTZPUHXZMQVCAN-YCMZMBCZSA-N. The full InChI is InChI=1S/C7H13NO.C4H8/c1-3-6(8)5-7(9)4-2;1-3-4-2/h5H,3-4,8H2,1-2H3;3-4H,1-2H3/b6-5-;4-3-.
What are the key properties of (Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene?
(Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene has a molecular weight of 183.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene is sourced from PubChem (CID 178015163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).