(3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol

C18H29NO — CID 67560750

IUPAC(3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol
SMILESCC1(C)C=CC(C2(CN3CC[C@@H](O)C3)CCCC2)=CC1
InChIInChI=1S/C18H29NO/c1-17(2)10-5-15(6-11-17)18(8-3-4-9-18)14-19-12-7-16(20)13-19/h5-6,10,16,20H,3-4,7-9,11-14H2,1-2H3/t16-/m1/s1
InChIKeyZFHDQNACDZLGJO-MRXNPFEDSA-N
MW275.44 g/mol
LogP3.53
Rot. Bonds3

About (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol

(3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol (PubChem CID 67560750) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol
PubChem CID67560750
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol
SMILESCC1(C)C=CC(C2(CN3CC[C@@H](O)C3)CCCC2)=CC1
InChIInChI=1S/C18H29NO/c1-17(2)10-5-15(6-11-17)18(8-3-4-9-18)14-19-12-7-16(20)13-19/h5-6,10,16,20H,3-4,7-9,11-14H2,1-2H3/t16-/m1/s1
InChIKeyZFHDQNACDZLGJO-MRXNPFEDSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[(2E,4Z)-3-(3,6-dimethylcyclohexa-1,5-dien-1-yl)undeca-2,4-dienyl]pyrrolidin-3-ol
CID 134379538
1-[2-(6-Methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidin-3-ol
CID 175841516
(3R)-1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-ol
CID 86805747
(3R)-1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
CID 99832351
(3R)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
CID 99832352
(3R)-1-[[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
CID 99832353
(3R)-1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
CID 99832354
(3S)-1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
CID 99832364
(3S)-1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
CID 99832366
(3S)-1-[[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
CID 99832368
(3S)-1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-ol
CID 99832369
(3S)-1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-ol
CID 121590379

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol (CID 67560750) is (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol is CC1(C)C=CC(C2(CN3CC[C@@H](O)C3)CCCC2)=CC1.
What is the InChIKey of (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol?
The InChIKey is ZFHDQNACDZLGJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2)10-5-15(6-11-17)18(8-3-4-9-18)14-19-12-7-16(20)13-19/h5-6,10,16,20H,3-4,7-9,11-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol?
(3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol has a molecular weight of 275.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopentyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 67560750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).