(3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one

C18H17NO2 — CID 9247340

IUPAC(3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one
SMILESC[C@H]1C[C@H]1c1ccc(/C=C2\C(=O)N(C)c3ccccc32)o1
InChIInChI=1S/C18H17NO2/c1-11-9-14(11)17-8-7-12(21-17)10-15-13-5-3-4-6-16(13)19(2)18(15)20/h3-8,10-11,14H,9H2,1-2H3/b15-10-/t11-,14+/m0/s1
InChIKeyXJDCYFLOWXEWPK-NJMOLFHQSA-N
MW279.34 g/mol
LogP3.92
Rot. Bonds2

About (3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one

(3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one (PubChem CID 9247340) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one
PubChem CID9247340
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one
SMILESC[C@H]1C[C@H]1c1ccc(/C=C2\C(=O)N(C)c3ccccc32)o1
InChIInChI=1S/C18H17NO2/c1-11-9-14(11)17-8-7-12(21-17)10-15-13-5-3-4-6-16(13)19(2)18(15)20/h3-8,10-11,14H,9H2,1-2H3/b15-10-/t11-,14+/m0/s1
InChIKeyXJDCYFLOWXEWPK-NJMOLFHQSA-N
XLogP3.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one?
The IUPAC name of (3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one (CID 9247340) is (3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one?
The canonical SMILES for (3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one is C[C@H]1C[C@H]1c1ccc(/C=C2\C(=O)N(C)c3ccccc32)o1.
What is the InChIKey of (3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one?
The InChIKey is XJDCYFLOWXEWPK-NJMOLFHQSA-N. The full InChI is InChI=1S/C18H17NO2/c1-11-9-14(11)17-8-7-12(21-17)10-15-13-5-3-4-6-16(13)19(2)18(15)20/h3-8,10-11,14H,9H2,1-2H3/b15-10-/t11-,14+/m0/s1.
What are the key properties of (3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one?
(3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one is sourced from PubChem (CID 9247340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).