ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde

C11H21NO — CID 176659806

IUPACethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde
SMILESC=C1C(CC=O)CCCN1C.CC
InChIInChI=1S/C9H15NO.C2H6/c1-8-9(5-7-11)4-3-6-10(8)2;1-2/h7,9H,1,3-6H2,2H3;1-2H3
InChIKeyXFKUOBPNSMGKOI-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.46
Rot. Bonds2

About ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde

ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde (PubChem CID 176659806) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde.

Molecular Properties

Compound Nameethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde
PubChem CID176659806
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde
SMILESC=C1C(CC=O)CCCN1C.CC
InChIInChI=1S/C9H15NO.C2H6/c1-8-9(5-7-11)4-3-6-10(8)2;1-2/h7,9H,1,3-6H2,2H3;1-2H3
InChIKeyXFKUOBPNSMGKOI-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylidenecyclohexyl)acetaldehyde
CID 11344057
2-[2-methylidene-3-(2-oxoethyl)cyclopentyl]acetic acid
CID 122443590
2-[(3S)-4-methylidene-5-oxooxolan-3-yl]acetaldehyde
CID 141354265
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126
ethane;2-[(2R)-2-methylcyclopentyl]acetaldehyde
CID 143647546
(1-methyl-2-oxopiperidin-3-yl)methanesulfonyl fluoride
CID 131183536
(3R)-1-methyl-3-prop-2-enylpyrrolidin-2-one
CID 129366009
3-decyl-1-methylpiperidin-2-one
CID 175348950
2-[(3S)-4-methylidene-1-methylsulfonylpyrrolidin-3-yl]acetaldehyde
CID 102299242
ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde
CID 123495598
1-methyl-2-methylidenepyrrolidin-3-ol
CID 145143350
4-[(1R,3R,6S)-1,6-dimethyl-2-methylidene-3-(2-oxoethyl)cyclohexyl]butanenitrile
CID 10988169

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde?
The IUPAC name of ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde (CID 176659806) is ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde.
What is the SMILES notation for ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde?
The canonical SMILES for ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde is C=C1C(CC=O)CCCN1C.CC.
What is the InChIKey of ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde?
The InChIKey is XFKUOBPNSMGKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-8-9(5-7-11)4-3-6-10(8)2;1-2/h7,9H,1,3-6H2,2H3;1-2H3.
What are the key properties of ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde?
ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde has a molecular weight of 183.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methyl-2-methylidenepiperidin-3-yl)acetaldehyde is sourced from PubChem (CID 176659806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).