[4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol

C18H29NO — CID 70452670

IUPAC[4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol
SMILESC=CCC1(CC=C)NC(CC=C)(CC=C)C(CO)C1C
InChIInChI=1S/C18H29NO/c1-6-10-17(11-7-2)15(5)16(14-20)18(19-17,12-8-3)13-9-4/h6-9,15-16,19-20H,1-4,10-14H2,5H3
InChIKeyBJSSWHVEXHHNDH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.62
Rot. Bonds9

About [4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol

[4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol (PubChem CID 70452670) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol
PubChem CID70452670
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol
SMILESC=CCC1(CC=C)NC(CC=C)(CC=C)C(CO)C1C
InChIInChI=1S/C18H29NO/c1-6-10-17(11-7-2)15(5)16(14-20)18(19-17,12-8-3)13-9-4/h6-9,15-16,19-20H,1-4,10-14H2,5H3
InChIKeyBJSSWHVEXHHNDH-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol (CID 70452670) is [4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol is C=CCC1(CC=C)NC(CC=C)(CC=C)C(CO)C1C.
What is the InChIKey of [4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol?
The InChIKey is BJSSWHVEXHHNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-10-17(11-7-2)15(5)16(14-20)18(19-17,12-8-3)13-9-4/h6-9,15-16,19-20H,1-4,10-14H2,5H3.
What are the key properties of [4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol?
[4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol has a molecular weight of 275.44 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70452670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).