(3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol

C10H17NO — CID 58790119

IUPAC(3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol
SMILESCC(C)(C)C#C[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C10H17NO/c1-10(2,3)5-4-8-6-9(12)7-11-8/h8-9,11-12H,6-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyPYRYSHOFLUJZPJ-RKDXNWHRSA-N
MW167.25 g/mol
LogP0.76
Rot. Bonds

About (3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol

(3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol (PubChem CID 58790119) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol
PubChem CID58790119
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol
SMILESCC(C)(C)C#C[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C10H17NO/c1-10(2,3)5-4-8-6-9(12)7-11-8/h8-9,11-12H,6-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyPYRYSHOFLUJZPJ-RKDXNWHRSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-yl]ethanesulfonamide
CID 58790337
5-(aminomethyl)pyrrolidin-3-ol;methanol
CID 145422369
(3R,5S)-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidin-3-ol
CID 121215757
5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055756
1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one
CID 59908097
(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
CID 155904303
ethane;5-(methoxymethyl)pyrrolidin-3-ol
CID 162382010
5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol
CID 176601408
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol
CID 66056750
5-(2-methoxybutan-2-yl)pyrrolidin-3-ol
CID 130713260
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol (CID 58790119) is (3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol is CC(C)(C)C#C[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol?
The InChIKey is PYRYSHOFLUJZPJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)5-4-8-6-9(12)7-11-8/h8-9,11-12H,6-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol?
(3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol has a molecular weight of 167.25 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol is sourced from PubChem (CID 58790119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).