(4-propa-1,2-dienylpyrrolidin-2-yl)methanol

C8H13NO — CID 123346847

IUPAC(4-propa-1,2-dienylpyrrolidin-2-yl)methanol
SMILESC=C=CC1CNC(CO)C1
InChIInChI=1S/C8H13NO/c1-2-3-7-4-8(6-10)9-5-7/h3,7-10H,1,4-6H2
InChIKeyYQWJCKPMADWVCN-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.30
Rot. Bonds2

About (4-propa-1,2-dienylpyrrolidin-2-yl)methanol

(4-propa-1,2-dienylpyrrolidin-2-yl)methanol (PubChem CID 123346847) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4-propa-1,2-dienylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4-propa-1,2-dienylpyrrolidin-2-yl)methanol
PubChem CID123346847
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4-propa-1,2-dienylpyrrolidin-2-yl)methanol
SMILESC=C=CC1CNC(CO)C1
InChIInChI=1S/C8H13NO/c1-2-3-7-4-8(6-10)9-5-7/h3,7-10H,1,4-6H2
InChIKeyYQWJCKPMADWVCN-UHFFFAOYSA-N
XLogP0.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propa-1,2-dienylpyrrolidin-2-yl)methanol?
The IUPAC name of (4-propa-1,2-dienylpyrrolidin-2-yl)methanol (CID 123346847) is (4-propa-1,2-dienylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4-propa-1,2-dienylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4-propa-1,2-dienylpyrrolidin-2-yl)methanol is C=C=CC1CNC(CO)C1.
What is the InChIKey of (4-propa-1,2-dienylpyrrolidin-2-yl)methanol?
The InChIKey is YQWJCKPMADWVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-7-4-8(6-10)9-5-7/h3,7-10H,1,4-6H2.
What are the key properties of (4-propa-1,2-dienylpyrrolidin-2-yl)methanol?
(4-propa-1,2-dienylpyrrolidin-2-yl)methanol has a molecular weight of 139.20 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propa-1,2-dienylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 123346847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).