(1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene

C16H17ClN2 — CID 7831489

IUPAC(1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)c1nc3ccc(Cl)cc3nc12
InChIInChI=1S/C16H17ClN2/c1-15(2)10-6-7-16(15,3)14-13(10)18-12-8-9(17)4-5-11(12)19-14/h4-5,8,10H,6-7H2,1-3H3/t10-,16+/m1/s1
InChIKeyOKVGMMZIGWUFMJ-HWPZZCPQSA-N
MW272.78 g/mol
LogP4.46
Rot. Bonds

About (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene

(1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (PubChem CID 7831489) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.

Molecular Properties

Compound Name(1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
PubChem CID7831489
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name(1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)c1nc3ccc(Cl)cc3nc12
InChIInChI=1S/C16H17ClN2/c1-15(2)10-6-7-16(15,3)14-13(10)18-12-8-9(17)4-5-11(12)19-14/h4-5,8,10H,6-7H2,1-3H3/t10-,16+/m1/s1
InChIKeyOKVGMMZIGWUFMJ-HWPZZCPQSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The IUPAC name of (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene (CID 7831489) is (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene.
What is the SMILES notation for (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The canonical SMILES for (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is CC1(C)[C@@H]2CC[C@@]1(C)c1nc3ccc(Cl)cc3nc12.
What is the InChIKey of (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
The InChIKey is OKVGMMZIGWUFMJ-HWPZZCPQSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-15(2)10-6-7-16(15,3)14-13(10)18-12-8-9(17)4-5-11(12)19-14/h4-5,8,10H,6-7H2,1-3H3/t10-,16+/m1/s1.
What are the key properties of (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene?
(1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene has a molecular weight of 272.78 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene is sourced from PubChem (CID 7831489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).