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

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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).