1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine

C17H29NO — CID 129015908

IUPAC1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine
SMILESCCC(C)/C=C\C1=C(C)C(CN2CCCC2)OCC1
InChIInChI=1S/C17H29NO/c1-4-14(2)7-8-16-9-12-19-17(15(16)3)13-18-10-5-6-11-18/h7-8,14,17H,4-6,9-13H2,1-3H3/b8-7-
InChIKeyRLUVGJPSAQNGSP-FPLPWBNLSA-N
MW263.42 g/mol
LogP3.79
Rot. Bonds5

About 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine

1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine (PubChem CID 129015908) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine
PubChem CID129015908
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine
SMILESCCC(C)/C=C\C1=C(C)C(CN2CCCC2)OCC1
InChIInChI=1S/C17H29NO/c1-4-14(2)7-8-16-9-12-19-17(15(16)3)13-18-10-5-6-11-18/h7-8,14,17H,4-6,9-13H2,1-3H3/b8-7-
InChIKeyRLUVGJPSAQNGSP-FPLPWBNLSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine with MolForge

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Related Compounds

4-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine
CID 67950924
(3R)-3-(3-chlorocyclohexa-2,4-dien-1-yl)oxy-1-methylpyrrolidine
CID 68393562
7,8-bis(ethenyl)-1-hexa-2,4-dien-3-yl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 123424498
4-(2-Ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine
CID 123822583
(3S)-3-(6-ethylcyclohexa-1,5-dien-1-yl)oxy-1-methylpyrrolidine
CID 129059964
N-[(4-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-N-propylbutan-1-amine
CID 138519215
CID 141842631
CID 141842631
1-[2-(4-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine
CID 142818528
ethane;1-[2-[(3Z,6E,8E)-8-ethenyl-6-[(Z,1E)-1-ethylidenepent-2-enyl]-7-methyl-5-methylideneundeca-1,3,6,8,10-pentaen-2-yl]oxyethyl]pyrrolidine
CID 143378619
3-(Cyclohexa-1,3-dien-1-ylmethoxy)-1-methylpyrrolidine
CID 143529670
1-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]pyrrolidine
CID 144107504
3-Cyclohexa-2,4-dien-1-yloxy-1-methylpyrrolidine
CID 144151481

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine (CID 129015908) is 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine is CCC(C)/C=C\C1=C(C)C(CN2CCCC2)OCC1.
What is the InChIKey of 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine?
The InChIKey is RLUVGJPSAQNGSP-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-14(2)7-8-16-9-12-19-17(15(16)3)13-18-10-5-6-11-18/h7-8,14,17H,4-6,9-13H2,1-3H3/b8-7-.
What are the key properties of 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine?
1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine has a molecular weight of 263.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]methyl]pyrrolidine is sourced from PubChem (CID 129015908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).