(3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

C22H26N2O2 — CID 43065674

IUPAC(3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
SMILESCN1/C(=C\C(=O)CN(Cc2ccco2)C2CC2)C(C)(C)c2ccccc21
InChIInChI=1S/C22H26N2O2/c1-22(2)19-8-4-5-9-20(19)23(3)21(22)13-17(25)14-24(16-10-11-16)15-18-7-6-12-26-18/h4-9,12-13,16H,10-11,14-15H2,1-3H3/b21-13-
InChIKeyXHLZQAWSTJHHDN-BKUYFWCQSA-N
MW350.46 g/mol
LogP4.12
Rot. Bonds6

About (3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

(3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (PubChem CID 43065674) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.

Molecular Properties

Compound Name(3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
PubChem CID43065674
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
SMILESCN1/C(=C\C(=O)CN(Cc2ccco2)C2CC2)C(C)(C)c2ccccc21
InChIInChI=1S/C22H26N2O2/c1-22(2)19-8-4-5-9-20(19)23(3)21(22)13-17(25)14-24(16-10-11-16)15-18-7-6-12-26-18/h4-9,12-13,16H,10-11,14-15H2,1-3H3/b21-13-
InChIKeyXHLZQAWSTJHHDN-BKUYFWCQSA-N
XLogP4.12
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The IUPAC name of (3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (CID 43065674) is (3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.
What is the SMILES notation for (3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The canonical SMILES for (3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is CN1/C(=C\C(=O)CN(Cc2ccco2)C2CC2)C(C)(C)c2ccccc21.
What is the InChIKey of (3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The InChIKey is XHLZQAWSTJHHDN-BKUYFWCQSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2)19-8-4-5-9-20(19)23(3)21(22)13-17(25)14-24(16-10-11-16)15-18-7-6-12-26-18/h4-9,12-13,16H,10-11,14-15H2,1-3H3/b21-13-.
What are the key properties of (3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
(3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is sourced from PubChem (CID 43065674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).