1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol

C9H15NO — CID 81468643

IUPAC1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol
SMILESC#CCC1(O)CC(C)N(C)C1
InChIInChI=1S/C9H15NO/c1-4-5-9(11)6-8(2)10(3)7-9/h1,8,11H,5-7H2,2-3H3
InChIKeyNINHWHHWSCXOBW-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.46
Rot. Bonds1

About 1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol

1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol (PubChem CID 81468643) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol
PubChem CID81468643
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol
SMILESC#CCC1(O)CC(C)N(C)C1
InChIInChI=1S/C9H15NO/c1-4-5-9(11)6-8(2)10(3)7-9/h1,8,11H,5-7H2,2-3H3
InChIKeyNINHWHHWSCXOBW-UHFFFAOYSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol (CID 81468643) is 1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol is C#CCC1(O)CC(C)N(C)C1.
What is the InChIKey of 1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol?
The InChIKey is NINHWHHWSCXOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-9(11)6-8(2)10(3)7-9/h1,8,11H,5-7H2,2-3H3.
What are the key properties of 1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol?
1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol has a molecular weight of 153.22 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol is sourced from PubChem (CID 81468643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).