(3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol

C10H19NO — CID 129037009

IUPAC(3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol
SMILESC=C(N1CC[C@@H](O)C1)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(10(2,3)4)11-6-5-9(12)7-11/h9,12H,1,5-7H2,2-4H3/t9-/m1/s1
InChIKeyCAMFMJXAANWXFJ-SECBINFHSA-N
MW169.27 g/mol
LogP1.61
Rot. Bonds1

About (3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol

(3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol (PubChem CID 129037009) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol
PubChem CID129037009
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol
SMILESC=C(N1CC[C@@H](O)C1)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(10(2,3)4)11-6-5-9(12)7-11/h9,12H,1,5-7H2,2-4H3/t9-/m1/s1
InChIKeyCAMFMJXAANWXFJ-SECBINFHSA-N
XLogP1.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-Hydroxypyrrolidin-1-yl)-2-methylpent-4-en-2-yl] hypofluorite
CID 172272245
(3R)-1-methyl-5-methylidenepyrrolidin-3-ol
CID 59418267
1-Methyl-5-methylidenepyrrolidin-3-ol
CID 72278741
(3S)-1-prop-1-en-2-ylpyrrolidin-3-ol
CID 88993401
(3R)-1-prop-1-en-2-ylpyrrolidin-3-ol
CID 88993437
(3R)-1-butan-2-yl-5-methylidenepyrrolidin-3-ol
CID 89423743
(3R)-5-methylidene-1-pentan-3-ylpyrrolidin-3-ol
CID 126576100
Ethane;1-prop-1-en-2-ylpyrrolidin-3-ol
CID 143949727
1-Prop-1-en-2-ylpyrrolidin-3-ol
CID 143949728
1-Pent-1-en-2-ylpyrrolidin-3-ol
CID 146430010
1-(4-Methoxybut-1-en-2-yl)pyrrolidin-3-ol
CID 166894534
1-(5,5-Dimethylhexa-1,2-dien-3-yl)-5-methylpyrrolidin-3-ol
CID 167071533

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol (CID 129037009) is (3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol is C=C(N1CC[C@@H](O)C1)C(C)(C)C.
What is the InChIKey of (3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol?
The InChIKey is CAMFMJXAANWXFJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(10(2,3)4)11-6-5-9(12)7-11/h9,12H,1,5-7H2,2-4H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol?
(3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol has a molecular weight of 169.27 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 (3R)-1-(3,3-dimethylbut-1-en-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129037009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).