2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine

C11H17NO — CID 123572370

IUPAC2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine
SMILESC=C(C=C1C(=C)CCCN1C)OC
InChIInChI=1S/C11H17NO/c1-9-6-5-7-12(3)11(9)8-10(2)13-4/h8H,1-2,5-7H2,3-4H3
InChIKeyAONQXBPZUKTTFH-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.31
Rot. Bonds2

About 2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine

2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine (PubChem CID 123572370) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine.

Molecular Properties

Compound Name2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine
PubChem CID123572370
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine
SMILESC=C(C=C1C(=C)CCCN1C)OC
InChIInChI=1S/C11H17NO/c1-9-6-5-7-12(3)11(9)8-10(2)13-4/h8H,1-2,5-7H2,3-4H3
InChIKeyAONQXBPZUKTTFH-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
CID 21283386
1-(3-Methoxycyclohexa-1,3-dien-1-yl)-2-methylpiperidine
CID 89569259
3-methoxy-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 89569363
1-[1-(6-Methoxycyclohexa-1,5-dien-1-yl)ethyl]piperidine
CID 89688746
4-(2-Ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methanidylpiperidin-5-ide
CID 91077745
6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
CID 123475527
2-Ethenyl-7,8-dimethoxy-1,3,4,6-tetrahydrocyclohepta[c]pyridine
CID 139399449
(Z,3E)-3-(1,6-dimethyl-3-methylidenepiperidin-2-ylidene)-2-methoxyprop-1-en-1-ol
CID 141886490
(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine
CID 143866535
ethene;1-[(Z)-2-(1-methoxyethenyl)but-2-enyl]piperidine
CID 144347286
N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 144773978
N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
CID 145352646

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine?
The IUPAC name of 2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine (CID 123572370) is 2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine.
What is the SMILES notation for 2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine?
The canonical SMILES for 2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine is C=C(C=C1C(=C)CCCN1C)OC.
What is the InChIKey of 2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine?
The InChIKey is AONQXBPZUKTTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-6-5-7-12(3)11(9)8-10(2)13-4/h8H,1-2,5-7H2,3-4H3.
What are the key properties of 2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine?
2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine has a molecular weight of 179.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine is sourced from PubChem (CID 123572370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).