ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone

C20H35NO — CID 155743320

IUPACethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone
SMILESC=C.CC/C=C\CC1C(C)CCC1CC(=O)C1CCNCC1
InChIInChI=1S/C18H31NO.C2H4/c1-3-4-5-6-17-14(2)7-8-16(17)13-18(20)15-9-11-19-12-10-15;1-2/h4-5,14-17,19H,3,6-13H2,1-2H3;1-2H2/b5-4-;
InChIKeySNZHHMAMRVFMMS-MKWAYWHRSA-N
MW305.51 g/mol
LogP4.77
Rot. Bonds6

About ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone

ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone (PubChem CID 155743320) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone.

Molecular Properties

Compound Nameethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone
PubChem CID155743320
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Nameethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone
SMILESC=C.CC/C=C\CC1C(C)CCC1CC(=O)C1CCNCC1
InChIInChI=1S/C18H31NO.C2H4/c1-3-4-5-6-17-14(2)7-8-16(17)13-18(20)15-9-11-19-12-10-15;1-2/h4-5,14-17,19H,3,6-13H2,1-2H3;1-2H2/b5-4-;
InChIKeySNZHHMAMRVFMMS-MKWAYWHRSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Azabicyclo[2.2.1]heptan-1-yl)hept-5-en-3-one
CID 57259694
(Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one
CID 88888780
3-Cyclohept-2-en-1-ylpiperidin-4-one
CID 137443949
(Z)-1-(ethylamino)-6-propyltricos-14-en-4-one
CID 138715096
N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 139517253
3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one
CID 139527293
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-ethylpentyl)acetamide
CID 140067196
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-ethylhexyl)acetamide
CID 140067208
1-(2-Bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one;methane
CID 142186993
(4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
CID 142767321
(3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane
CID 143693789
1-(2-Bicyclo[2.2.1]hept-5-enyl)ethanone;3,5-dimethylpiperidine
CID 144200609

Frequently Asked Questions

What is the IUPAC name of ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone?
The IUPAC name of ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone (CID 155743320) is ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone.
What is the SMILES notation for ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone?
The canonical SMILES for ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone is C=C.CC/C=C\CC1C(C)CCC1CC(=O)C1CCNCC1.
What is the InChIKey of ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone?
The InChIKey is SNZHHMAMRVFMMS-MKWAYWHRSA-N. The full InChI is InChI=1S/C18H31NO.C2H4/c1-3-4-5-6-17-14(2)7-8-16(17)13-18(20)15-9-11-19-12-10-15;1-2/h4-5,14-17,19H,3,6-13H2,1-2H3;1-2H2/b5-4-;.
What are the key properties of ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone?
ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone has a molecular weight of 305.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone is sourced from PubChem (CID 155743320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).