(3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol

C24H37NO — CID 170044006

IUPAC(3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol
SMILESC[C@@]1(CN2CCCC2)C2CCC3/C(=C/C=C4/CCCC(O)C4)CCCC321
InChIInChI=1S/C24H37NO/c1-23(17-25-14-2-3-15-25)22-12-11-21-19(7-5-13-24(21,22)23)10-9-18-6-4-8-20(26)16-18/h9-10,20-22,26H,2-8,11-17H2,1H3/b18-9-,19-10+/t20?,21?,22?,23-,24?/m1/s1
InChIKeySJCZKIYKAJYZEE-FTELKXFLSA-N
MW355.57 g/mol
LogP5.09
Rot. Bonds3

About (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol

(3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol (PubChem CID 170044006) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name(3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol
PubChem CID170044006
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name(3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol
SMILESC[C@@]1(CN2CCCC2)C2CCC3/C(=C/C=C4/CCCC(O)C4)CCCC321
InChIInChI=1S/C24H37NO/c1-23(17-25-14-2-3-15-25)22-12-11-21-19(7-5-13-24(21,22)23)10-9-18-6-4-8-20(26)16-18/h9-10,20-22,26H,2-8,11-17H2,1H3/b18-9-,19-10+/t20?,21?,22?,23-,24?/m1/s1
InChIKeySJCZKIYKAJYZEE-FTELKXFLSA-N
XLogP5.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol?
The IUPAC name of (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol (CID 170044006) is (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol.
What is the SMILES notation for (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol?
The canonical SMILES for (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol is C[C@@]1(CN2CCCC2)C2CCC3/C(=C/C=C4/CCCC(O)C4)CCCC321.
What is the InChIKey of (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol?
The InChIKey is SJCZKIYKAJYZEE-FTELKXFLSA-N. The full InChI is InChI=1S/C24H37NO/c1-23(17-25-14-2-3-15-25)22-12-11-21-19(7-5-13-24(21,22)23)10-9-18-6-4-8-20(26)16-18/h9-10,20-22,26H,2-8,11-17H2,1H3/b18-9-,19-10+/t20?,21?,22?,23-,24?/m1/s1.
What are the key properties of (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol?
(3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol has a molecular weight of 355.57 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2E)-2-[(1R)-1-methyl-1-(pyrrolidin-1-ylmethyl)-2,3,3a,5,6,7-hexahydro-1aH-cyclopropa[i]inden-4-ylidene]ethylidene]cyclohexan-1-ol is sourced from PubChem (CID 170044006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).