ethane;1-prop-1-en-2-ylpyrrolidin-3-ol

C9H19NO — CID 143949727

IUPACethane;1-prop-1-en-2-ylpyrrolidin-3-ol
SMILESC=C(C)N1CCC(O)C1.CC
InChIInChI=1S/C7H13NO.C2H6/c1-6(2)8-4-3-7(9)5-8;1-2/h7,9H,1,3-5H2,2H3;1-2H3
InChIKeyQIEDHABWCTTZIO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.61
Rot. Bonds1

About ethane;1-prop-1-en-2-ylpyrrolidin-3-ol

ethane;1-prop-1-en-2-ylpyrrolidin-3-ol (PubChem CID 143949727) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;1-prop-1-en-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-prop-1-en-2-ylpyrrolidin-3-ol
PubChem CID143949727
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;1-prop-1-en-2-ylpyrrolidin-3-ol
SMILESC=C(C)N1CCC(O)C1.CC
InChIInChI=1S/C7H13NO.C2H6/c1-6(2)8-4-3-7(9)5-8;1-2/h7,9H,1,3-5H2,2H3;1-2H3
InChIKeyQIEDHABWCTTZIO-UHFFFAOYSA-N
XLogP1.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-prop-1-en-2-ylpyrrolidin-3-ol?
The IUPAC name of ethane;1-prop-1-en-2-ylpyrrolidin-3-ol (CID 143949727) is ethane;1-prop-1-en-2-ylpyrrolidin-3-ol.
What is the SMILES notation for ethane;1-prop-1-en-2-ylpyrrolidin-3-ol?
The canonical SMILES for ethane;1-prop-1-en-2-ylpyrrolidin-3-ol is C=C(C)N1CCC(O)C1.CC.
What is the InChIKey of ethane;1-prop-1-en-2-ylpyrrolidin-3-ol?
The InChIKey is QIEDHABWCTTZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-6(2)8-4-3-7(9)5-8;1-2/h7,9H,1,3-5H2,2H3;1-2H3.
What are the key properties of ethane;1-prop-1-en-2-ylpyrrolidin-3-ol?
ethane;1-prop-1-en-2-ylpyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-prop-1-en-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 143949727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).