(3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol

C16H23NO — CID 90191116

IUPAC(3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol
SMILESCc1ccc2c(c1)CCC(N1CC[C@@H](O)C1)CC2
InChIInChI=1S/C16H23NO/c1-12-2-3-13-4-6-15(7-5-14(13)10-12)17-9-8-16(18)11-17/h2-3,10,15-16,18H,4-9,11H2,1H3/t15?,16-/m1/s1
InChIKeyRPJKSBPNMSPQRU-OEMAIJDKSA-N
MW245.37 g/mol
LogP2.31
Rot. Bonds1

About (3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol

(3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol (PubChem CID 90191116) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol
PubChem CID90191116
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol
SMILESCc1ccc2c(c1)CCC(N1CC[C@@H](O)C1)CC2
InChIInChI=1S/C16H23NO/c1-12-2-3-13-4-6-15(7-5-14(13)10-12)17-9-8-16(18)11-17/h2-3,10,15-16,18H,4-9,11H2,1H3/t15?,16-/m1/s1
InChIKeyRPJKSBPNMSPQRU-OEMAIJDKSA-N
XLogP2.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol (CID 90191116) is (3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol is Cc1ccc2c(c1)CCC(N1CC[C@@H](O)C1)CC2.
What is the InChIKey of (3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol?
The InChIKey is RPJKSBPNMSPQRU-OEMAIJDKSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-2-3-13-4-6-15(7-5-14(13)10-12)17-9-8-16(18)11-17/h2-3,10,15-16,18H,4-9,11H2,1H3/t15?,16-/m1/s1.
What are the key properties of (3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol?
(3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol has a molecular weight of 245.37 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol is sourced from PubChem (CID 90191116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).