1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol

C20H33NO — CID 123166315

IUPAC1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol
SMILESC=CC=C(C)C(=C)C(C)C1CCC(O)N1C(C)CC(C)C=C
InChIInChI=1S/C20H33NO/c1-8-10-15(4)17(6)18(7)19-11-12-20(22)21(19)16(5)13-14(3)9-2/h8-10,14,16,18-20,22H,1-2,6,11-13H2,3-5,7H3
InChIKeyCIMKWQXTBHJVKW-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.69
Rot. Bonds8

About 1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol

1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol (PubChem CID 123166315) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol.

Molecular Properties

Compound Name1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol
PubChem CID123166315
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol
SMILESC=CC=C(C)C(=C)C(C)C1CCC(O)N1C(C)CC(C)C=C
InChIInChI=1S/C20H33NO/c1-8-10-15(4)17(6)18(7)19-11-12-20(22)21(19)16(5)13-14(3)9-2/h8-10,14,16,18-20,22H,1-2,6,11-13H2,3-5,7H3
InChIKeyCIMKWQXTBHJVKW-UHFFFAOYSA-N
XLogP4.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol?
The IUPAC name of 1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol (CID 123166315) is 1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol.
What is the SMILES notation for 1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol?
The canonical SMILES for 1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol is C=CC=C(C)C(=C)C(C)C1CCC(O)N1C(C)CC(C)C=C.
What is the InChIKey of 1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol?
The InChIKey is CIMKWQXTBHJVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-8-10-15(4)17(6)18(7)19-11-12-20(22)21(19)16(5)13-14(3)9-2/h8-10,14,16,18-20,22H,1-2,6,11-13H2,3-5,7H3.
What are the key properties of 1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol?
1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol has a molecular weight of 303.49 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol is sourced from PubChem (CID 123166315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).