[2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol

C22H22N2O2 — CID 59791495

IUPAC[2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol
SMILESCOC1=CC(c2[nH]c3ccccc3c2CO)=CC1=Cc1[nH]c(C)cc1C
InChIInChI=1S/C22H22N2O2/c1-13-8-14(2)23-20(13)10-15-9-16(11-21(15)26-3)22-18(12-25)17-6-4-5-7-19(17)24-22/h4-11,23-25H,12H2,1-3H3
InChIKeyIVRSQRSCNVDDHK-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.62
Rot. Bonds4

About [2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol

[2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol (PubChem CID 59791495) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol.

Molecular Properties

Compound Name[2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol
PubChem CID59791495
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name[2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol
SMILESCOC1=CC(c2[nH]c3ccccc3c2CO)=CC1=Cc1[nH]c(C)cc1C
InChIInChI=1S/C22H22N2O2/c1-13-8-14(2)23-20(13)10-15-9-16(11-21(15)26-3)22-18(12-25)17-6-4-5-7-19(17)24-22/h4-11,23-25H,12H2,1-3H3
InChIKeyIVRSQRSCNVDDHK-UHFFFAOYSA-N
XLogP4.62
TPSA61.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol?
The IUPAC name of [2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol (CID 59791495) is [2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol.
What is the SMILES notation for [2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol?
The canonical SMILES for [2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol is COC1=CC(c2[nH]c3ccccc3c2CO)=CC1=Cc1[nH]c(C)cc1C.
What is the InChIKey of [2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol?
The InChIKey is IVRSQRSCNVDDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-13-8-14(2)23-20(13)10-15-9-16(11-21(15)26-3)22-18(12-25)17-6-4-5-7-19(17)24-22/h4-11,23-25H,12H2,1-3H3.
What are the key properties of [2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol?
[2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol has a molecular weight of 346.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxycyclopenta-1,4-dien-1-yl]-1H-indol-3-yl]methanol is sourced from PubChem (CID 59791495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).