(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol

C17H31NO2 — CID 91695465

IUPAC(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol
SMILESCC(/C=C1/CC(C)C2CCCN2C1)CCC(O)C(C)O
InChIInChI=1S/C17H31NO2/c1-12(6-7-17(20)14(3)19)9-15-10-13(2)16-5-4-8-18(16)11-15/h9,12-14,16-17,19-20H,4-8,10-11H2,1-3H3/b15-9-
InChIKeySUMJLKAYPQXQGL-DHDCSXOGSA-N
MW281.44 g/mol
LogP2.58
Rot. Bonds5

About (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol

(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol (PubChem CID 91695465) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol.

Molecular Properties

Compound Name(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol
PubChem CID91695465
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol
SMILESCC(/C=C1/CC(C)C2CCCN2C1)CCC(O)C(C)O
InChIInChI=1S/C17H31NO2/c1-12(6-7-17(20)14(3)19)9-15-10-13(2)16-5-4-8-18(16)11-15/h9,12-14,16-17,19-20H,4-8,10-11H2,1-3H3/b15-9-
InChIKeySUMJLKAYPQXQGL-DHDCSXOGSA-N
XLogP2.58
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol?
The IUPAC name of (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol (CID 91695465) is (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol.
What is the SMILES notation for (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol?
The canonical SMILES for (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol is CC(/C=C1/CC(C)C2CCCN2C1)CCC(O)C(C)O.
What is the InChIKey of (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol?
The InChIKey is SUMJLKAYPQXQGL-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H31NO2/c1-12(6-7-17(20)14(3)19)9-15-10-13(2)16-5-4-8-18(16)11-15/h9,12-14,16-17,19-20H,4-8,10-11H2,1-3H3/b15-9-.
What are the key properties of (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol?
(7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol has a molecular weight of 281.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-6-methyl-7-(8-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ylidene)heptane-2,3-diol is sourced from PubChem (CID 91695465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).