(2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one

C19H22N2O — CID 6371672

IUPAC(2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one
SMILESCC1C/C(=C/c2cccn2C)C(=O)/C(=C/c2cccn2C)C1
InChIInChI=1S/C19H22N2O/c1-14-10-15(12-17-6-4-8-20(17)2)19(22)16(11-14)13-18-7-5-9-21(18)3/h4-9,12-14H,10-11H2,1-3H3/b15-12-,16-13+
InChIKeyOSWJIKQLNKDUSD-RHDGPOJRSA-N
MW294.40 g/mol
LogP3.83
Rot. Bonds2

About (2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one

(2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one (PubChem CID 6371672) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one
PubChem CID6371672
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one
SMILESCC1C/C(=C/c2cccn2C)C(=O)/C(=C/c2cccn2C)C1
InChIInChI=1S/C19H22N2O/c1-14-10-15(12-17-6-4-8-20(17)2)19(22)16(11-14)13-18-7-5-9-21(18)3/h4-9,12-14H,10-11H2,1-3H3/b15-12-,16-13+
InChIKeyOSWJIKQLNKDUSD-RHDGPOJRSA-N
XLogP3.83
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one?
The IUPAC name of (2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one (CID 6371672) is (2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one?
The canonical SMILES for (2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one is CC1C/C(=C/c2cccn2C)C(=O)/C(=C/c2cccn2C)C1.
What is the InChIKey of (2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one?
The InChIKey is OSWJIKQLNKDUSD-RHDGPOJRSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-10-15(12-17-6-4-8-20(17)2)19(22)16(11-14)13-18-7-5-9-21(18)3/h4-9,12-14H,10-11H2,1-3H3/b15-12-,16-13+.
What are the key properties of (2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one?
(2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one has a molecular weight of 294.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-4-methyl-2,6-bis[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 6371672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).