propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol

C13H27NO — CID 177231035

IUPACpropane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol
SMILESCC(O)/C=C/[C@H](C)N1CCCC1.CCC
InChIInChI=1S/C10H19NO.C3H8/c1-9(5-6-10(2)12)11-7-3-4-8-11;1-3-2/h5-6,9-10,12H,3-4,7-8H2,1-2H3;3H2,1-2H3/b6-5+;/t9-,10?;/m0./s1
InChIKeyFFNFWKOAMRMUSH-SYWPRFPASA-N
MW213.36 g/mol
LogP2.82
Rot. Bonds3

About propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol

propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol (PubChem CID 177231035) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol.

Molecular Properties

Compound Namepropane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol
PubChem CID177231035
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Namepropane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol
SMILESCC(O)/C=C/[C@H](C)N1CCCC1.CCC
InChIInChI=1S/C10H19NO.C3H8/c1-9(5-6-10(2)12)11-7-3-4-8-11;1-3-2/h5-6,9-10,12H,3-4,7-8H2,1-2H3;3H2,1-2H3/b6-5+;/t9-,10?;/m0./s1
InChIKeyFFNFWKOAMRMUSH-SYWPRFPASA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.82
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

(E)-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
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CID 20087193
(R)-3-Hydroxy-1-(N-methylpyrrolidin-2-yl)propene
CID 53698862
3-(1-Methylpyrrolidin-2-yl)prop-2-en-1-ol
CID 70146895
(E)-5-[cyclopropyl(methyl)amino]pent-3-en-2-ol
CID 89733262
(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-ol
CID 129142659
1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
CID 146628726
ethane;1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
CID 153604095
1-pentan-3-yl-3,6-dihydro-2H-pyridin-3-ol
CID 153604103
CID 162267009
CID 162267009
CID 162267242
CID 162267242
1-Propan-2-yl-2,3,6,7-tetrahydroazepin-3-ol
CID 168942653

Frequently Asked Questions

What is the IUPAC name of propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol?
The IUPAC name of propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol (CID 177231035) is propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol.
What is the SMILES notation for propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol?
The canonical SMILES for propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol is CC(O)/C=C/[C@H](C)N1CCCC1.CCC.
What is the InChIKey of propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol?
The InChIKey is FFNFWKOAMRMUSH-SYWPRFPASA-N. The full InChI is InChI=1S/C10H19NO.C3H8/c1-9(5-6-10(2)12)11-7-3-4-8-11;1-3-2/h5-6,9-10,12H,3-4,7-8H2,1-2H3;3H2,1-2H3/b6-5+;/t9-,10?;/m0./s1.
What are the key properties of propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol?
propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(E,5S)-5-pyrrolidin-1-ylhex-3-en-2-ol is sourced from PubChem (CID 177231035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).