1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol

C14H23NO — CID 90701548

IUPAC1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol
SMILESCC1=CC(C)C(C)C(N2CCC(O)C2)C=C1
InChIInChI=1S/C14H23NO/c1-10-4-5-14(12(3)11(2)8-10)15-7-6-13(16)9-15/h4-5,8,11-14,16H,6-7,9H2,1-3H3
InChIKeyNJNQINSVIQEFHJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.21
Rot. Bonds1

About 1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol

1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol (PubChem CID 90701548) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol
PubChem CID90701548
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol
SMILESCC1=CC(C)C(C)C(N2CCC(O)C2)C=C1
InChIInChI=1S/C14H23NO/c1-10-4-5-14(12(3)11(2)8-10)15-7-6-13(16)9-15/h4-5,8,11-14,16H,6-7,9H2,1-3H3
InChIKeyNJNQINSVIQEFHJ-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol (CID 90701548) is 1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol is CC1=CC(C)C(C)C(N2CCC(O)C2)C=C1.
What is the InChIKey of 1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol?
The InChIKey is NJNQINSVIQEFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-4-5-14(12(3)11(2)8-10)15-7-6-13(16)9-15/h4-5,8,11-14,16H,6-7,9H2,1-3H3.
What are the key properties of 1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol?
1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol has a molecular weight of 221.34 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 90701548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).