(6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol

C10H17NO — CID 170564986

IUPAC(6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESCC=C1CN2CCCC2(CO)C1
InChIInChI=1S/C10H17NO/c1-2-9-6-10(8-12)4-3-5-11(10)7-9/h2,12H,3-8H2,1H3
InChIKeyQYPKJAPRWMZYLL-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.16
Rot. Bonds1

About (6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol

(6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (PubChem CID 170564986) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
PubChem CID170564986
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESCC=C1CN2CCCC2(CO)C1
InChIInChI=1S/C10H17NO/c1-2-9-6-10(8-12)4-3-5-11(10)7-9/h2,12H,3-8H2,1H3
InChIKeyQYPKJAPRWMZYLL-UHFFFAOYSA-N
XLogP1.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 123968379
(E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 162730762
(2-fluoro-6-methylene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 163686023
[(6Z,8S)-6-(fluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875895
(S,Z)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876019
(S,E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876022
(6Z)-6-(2,2-difluoroethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164921981
(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 164922173
[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164922426
(2-(2,2-Difluoroethylidene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 164922515
(2-(Difluoromethylene)-6-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 166095840
[6-(fluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 166095856

Frequently Asked Questions

What is the IUPAC name of (6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The IUPAC name of (6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (CID 170564986) is (6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.
What is the SMILES notation for (6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The canonical SMILES for (6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is CC=C1CN2CCCC2(CO)C1.
What is the InChIKey of (6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The InChIKey is QYPKJAPRWMZYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-9-6-10(8-12)4-3-5-11(10)7-9/h2,12H,3-8H2,1H3.
What are the key properties of (6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
(6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol has a molecular weight of 167.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is sourced from PubChem (CID 170564986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).