ethane;1-(4-methylidenepiperidin-1-yl)ethanone

C10H19NO — CID 143008348

IUPACethane;1-(4-methylidenepiperidin-1-yl)ethanone
SMILESC=C1CCN(C(C)=O)CC1.CC
InChIInChI=1S/C8H13NO.C2H6/c1-7-3-5-9(6-4-7)8(2)10;1-2/h1,3-6H2,2H3;1-2H3
InChIKeySWFBEAKSRGBMEJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds

About ethane;1-(4-methylidenepiperidin-1-yl)ethanone

ethane;1-(4-methylidenepiperidin-1-yl)ethanone (PubChem CID 143008348) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;1-(4-methylidenepiperidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-methylidenepiperidin-1-yl)ethanone
PubChem CID143008348
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;1-(4-methylidenepiperidin-1-yl)ethanone
SMILESC=C1CCN(C(C)=O)CC1.CC
InChIInChI=1S/C8H13NO.C2H6/c1-7-3-5-9(6-4-7)8(2)10;1-2/h1,3-6H2,2H3;1-2H3
InChIKeySWFBEAKSRGBMEJ-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cambridge id 5416575
CID 782181
n-Methacryloylpiperidine
CID 3070236
Piperidine, 1-acetyl-4-ethylidene-
CID 45085969
1-(4-Prop-1-en-2-ylpiperidin-1-yl)ethanone
CID 89385966
2,2,2-Trifluoro-1-(4-methylidenepiperidin-1-yl)ethanone
CID 58902712
1-(3,3-Difluoro-4-methylidenepiperidin-1-yl)-2-methylpropan-1-one
CID 161913861
1-[4-(Oxomethylidene)piperidin-1-yl]ethanone
CID 134874248
3,3-Difluoro-2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 124292294
3,3-Difluoro-1-(4-methylidenepiperidin-1-yl)butan-1-one
CID 126782023
1-(Piperidin-1-yl)hexa-3,4-dien-1-one
CID 21634277
1-(Piperidin-1-yl)octa-3,4-dien-1-one
CID 21634279
1-(Piperidin-1-yl)deca-3,4-dien-1-one
CID 21634280

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylidenepiperidin-1-yl)ethanone?
The IUPAC name of ethane;1-(4-methylidenepiperidin-1-yl)ethanone (CID 143008348) is ethane;1-(4-methylidenepiperidin-1-yl)ethanone.
What is the SMILES notation for ethane;1-(4-methylidenepiperidin-1-yl)ethanone?
The canonical SMILES for ethane;1-(4-methylidenepiperidin-1-yl)ethanone is C=C1CCN(C(C)=O)CC1.CC.
What is the InChIKey of ethane;1-(4-methylidenepiperidin-1-yl)ethanone?
The InChIKey is SWFBEAKSRGBMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-7-3-5-9(6-4-7)8(2)10;1-2/h1,3-6H2,2H3;1-2H3.
What are the key properties of ethane;1-(4-methylidenepiperidin-1-yl)ethanone?
ethane;1-(4-methylidenepiperidin-1-yl)ethanone has a molecular weight of 169.27 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylidenepiperidin-1-yl)ethanone is sourced from PubChem (CID 143008348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).