(4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol

C8H13NO — CID 138519853

IUPAC(4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol
SMILESC/C=C1/NCC(O)/C1=C/C
InChIInChI=1S/C8H13NO/c1-3-6-7(4-2)9-5-8(6)10/h3-4,8-10H,5H2,1-2H3/b6-3+,7-4+
InChIKeyQCZWTCHHOFYUEZ-XOKGJFMYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol

(4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol (PubChem CID 138519853) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol
PubChem CID138519853
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol
SMILESC/C=C1/NCC(O)/C1=C/C
InChIInChI=1S/C8H13NO/c1-3-6-7(4-2)9-5-8(6)10/h3-4,8-10H,5H2,1-2H3/b6-3+,7-4+
InChIKeyQCZWTCHHOFYUEZ-XOKGJFMYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol (CID 138519853) is (4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol is C/C=C1/NCC(O)/C1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol?
The InChIKey is QCZWTCHHOFYUEZ-XOKGJFMYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-6-7(4-2)9-5-8(6)10/h3-4,8-10H,5H2,1-2H3/b6-3+,7-4+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol?
(4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol has a molecular weight of 139.20 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)pyrrolidin-3-ol is sourced from PubChem (CID 138519853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).