(E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol

C11H19NO — CID 170013186

IUPAC(E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol
SMILESC=C(CO)/C(=C\CC)C1CCCN1
InChIInChI=1S/C11H19NO/c1-3-5-10(9(2)8-13)11-6-4-7-12-11/h5,11-13H,2-4,6-8H2,1H3/b10-5+
InChIKeySLPXUBLGBSYFAN-BJMVGYQFSA-N
MW181.28 g/mol
LogP1.62
Rot. Bonds4

About (E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol

(E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol (PubChem CID 170013186) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol.

Molecular Properties

Compound Name(E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol
PubChem CID170013186
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol
SMILESC=C(CO)/C(=C\CC)C1CCCN1
InChIInChI=1S/C11H19NO/c1-3-5-10(9(2)8-13)11-6-4-7-12-11/h5,11-13H,2-4,6-8H2,1H3/b10-5+
InChIKeySLPXUBLGBSYFAN-BJMVGYQFSA-N
XLogP1.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2s)-Pyrrolidin-2-yl)-3-buten-1-ol
CID 11423649
2,3,7,7a-tetrahydro-1H-indole-2,5-diol
CID 66584263
(3Z)-3-ethenyl-4-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-ol
CID 145138500
(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
CID 155010717
[(2S,5R)-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrrolidin-2-yl]methanol
CID 177364899
1-(9-Azabicyclo[4.2.1]non-2-en-2-yl)ethanol
CID 14408189
3-Pyrrolidin-2-ylbut-3-en-1-ol
CID 72956246
(1S)-1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanol
CID 101613763
(1R)-1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanol
CID 101613764
4-[2-(Cyclopenten-1-yl)ethylamino]pentan-1-ol
CID 115974595
2-(Pyrrolidin-2-ylmethyl)prop-2-en-1-ol
CID 117266684
(1S)-1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanol
CID 130722004

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol?
The IUPAC name of (E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol (CID 170013186) is (E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol.
What is the SMILES notation for (E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol?
The canonical SMILES for (E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol is C=C(CO)/C(=C\CC)C1CCCN1.
What is the InChIKey of (E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol?
The InChIKey is SLPXUBLGBSYFAN-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-10(9(2)8-13)11-6-4-7-12-11/h5,11-13H,2-4,6-8H2,1H3/b10-5+.
What are the key properties of (E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol?
(E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylidene-3-pyrrolidin-2-ylhex-3-en-1-ol is sourced from PubChem (CID 170013186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).