(Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one

C14H21NO — CID 11816853

IUPAC(Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one
SMILESCC#CN(/C(C)=C\C(C)=O)C1CCCCC1
InChIInChI=1S/C14H21NO/c1-4-10-15(12(2)11-13(3)16)14-8-6-5-7-9-14/h11,14H,5-9H2,1-3H3/b12-11-
InChIKeyZTECVXWDKMZSOT-QXMHVHEDSA-N
MW219.33 g/mol
LogP3.09
Rot. Bonds3

About (Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one

(Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one (PubChem CID 11816853) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one
PubChem CID11816853
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one
SMILESCC#CN(/C(C)=C\C(C)=O)C1CCCCC1
InChIInChI=1S/C14H21NO/c1-4-10-15(12(2)11-13(3)16)14-8-6-5-7-9-14/h11,14H,5-9H2,1-3H3/b12-11-
InChIKeyZTECVXWDKMZSOT-QXMHVHEDSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(cyclohexylamino)pent-3-en-2-one
CID 11063031
4-(Cyclohexylamino)-3-penten-2-one
CID 68500602
(E)-4-piperidin-1-ylpent-3-en-2-one
CID 11137514
3-[Cyclohexyl(methyl)amino]cyclohex-2-en-1-one
CID 12735106
1-butyl-2,6-dimethylpyridin-4(1H)-one
CID 21823180
1-Cyclohexyl-6-methyl-2,3-dihydropyridin-4-one
CID 121015093
2-Ethyl-6-methyl-1-(1-methylethyl)-4(1H)-pyridinone
CID 130027558
(E)-4-(cyclohexylamino)pent-3-en-2-one
CID 15668768
2-Methyl-1-pentylpyridin-4-one
CID 57018299
1-Cyclohexyl-2-methylpyridin-4-one
CID 57058438
1-Cycloheptyl-2-methylpyridin-4-one
CID 57094391
1-Hexyl-2-methylpyridin-4-one
CID 57140515

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one?
The IUPAC name of (Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one (CID 11816853) is (Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one?
The canonical SMILES for (Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one is CC#CN(/C(C)=C\C(C)=O)C1CCCCC1.
What is the InChIKey of (Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one?
The InChIKey is ZTECVXWDKMZSOT-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-10-15(12(2)11-13(3)16)14-8-6-5-7-9-14/h11,14H,5-9H2,1-3H3/b12-11-.
What are the key properties of (Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one?
(Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one has a molecular weight of 219.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one is sourced from PubChem (CID 11816853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).