(2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine

C9H15N — CID 162382841

IUPAC(2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine
SMILESCC#C[C@]1(C)CCCN1C
InChIInChI=1S/C9H15N/c1-4-6-9(2)7-5-8-10(9)3/h5,7-8H2,1-3H3/t9-/m1/s1
InChIKeyUYTJEZIPTHLTRE-SECBINFHSA-N
MW137.23 g/mol
LogP1.49
Rot. Bonds

About (2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine

(2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine (PubChem CID 162382841) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine
PubChem CID162382841
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine
SMILESCC#C[C@]1(C)CCCN1C
InChIInChI=1S/C9H15N/c1-4-6-9(2)7-5-8-10(9)3/h5,7-8H2,1-3H3/t9-/m1/s1
InChIKeyUYTJEZIPTHLTRE-SECBINFHSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine?
The IUPAC name of (2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine (CID 162382841) is (2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine.
What is the SMILES notation for (2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine?
The canonical SMILES for (2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine is CC#C[C@]1(C)CCCN1C.
What is the InChIKey of (2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine?
The InChIKey is UYTJEZIPTHLTRE-SECBINFHSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-9(2)7-5-8-10(9)3/h5,7-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine?
(2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine is sourced from PubChem (CID 162382841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).