(1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol

C22H33NO — CID 155463393

IUPAC(1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol
SMILESCC1CC2=C(C=C1O)[C@@]13CCCCC1[C@@H](C2)N(C(C)C1CC1)CC3
InChIInChI=1S/C22H33NO/c1-14-11-17-12-20-18-5-3-4-8-22(18,19(17)13-21(14)24)9-10-23(20)15(2)16-6-7-16/h13-16,18,20,24H,3-12H2,1-2H3/t14?,15?,18?,20-,22-/m1/s1
InChIKeyVOXCDSMODSNHDV-QBBYSTJJSA-N
MW327.51 g/mol
LogP5.22
Rot. Bonds2

About (1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol

(1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol (PubChem CID 155463393) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is (1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol.

Molecular Properties

Compound Name(1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol
PubChem CID155463393
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name(1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol
SMILESCC1CC2=C(C=C1O)[C@@]13CCCCC1[C@@H](C2)N(C(C)C1CC1)CC3
InChIInChI=1S/C22H33NO/c1-14-11-17-12-20-18-5-3-4-8-22(18,19(17)13-21(14)24)9-10-23(20)15(2)16-6-7-16/h13-16,18,20,24H,3-12H2,1-2H3/t14?,15?,18?,20-,22-/m1/s1
InChIKeyVOXCDSMODSNHDV-QBBYSTJJSA-N
XLogP5.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol?
The IUPAC name of (1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol (CID 155463393) is (1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol.
What is the SMILES notation for (1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol?
The canonical SMILES for (1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol is CC1CC2=C(C=C1O)[C@@]13CCCCC1[C@@H](C2)N(C(C)C1CC1)CC3.
What is the InChIKey of (1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol?
The InChIKey is VOXCDSMODSNHDV-QBBYSTJJSA-N. The full InChI is InChI=1S/C22H33NO/c1-14-11-17-12-20-18-5-3-4-8-22(18,19(17)13-21(14)24)9-10-23(20)15(2)16-6-7-16/h13-16,18,20,24H,3-12H2,1-2H3/t14?,15?,18?,20-,22-/m1/s1.
What are the key properties of (1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol?
(1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol has a molecular weight of 327.51 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol is sourced from PubChem (CID 155463393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).