2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole

C19H18N2 — CID 147228224

IUPAC2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole
SMILESC=c1ccc(=C(C2=NC(=C(C)C)C=C2)c2ccccc2)[nH]1
InChIInChI=1S/C19H18N2/c1-13(2)16-11-12-18(21-16)19(15-7-5-4-6-8-15)17-10-9-14(3)20-17/h4-12,20H,3H2,1-2H3
InChIKeyAZPTVUFKNCVDGP-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.93
Rot. Bonds2

About 2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole

2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole (PubChem CID 147228224) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole.

Molecular Properties

Compound Name2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole
PubChem CID147228224
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole
SMILESC=c1ccc(=C(C2=NC(=C(C)C)C=C2)c2ccccc2)[nH]1
InChIInChI=1S/C19H18N2/c1-13(2)16-11-12-18(21-16)19(15-7-5-4-6-8-15)17-10-9-14(3)20-17/h4-12,20H,3H2,1-2H3
InChIKeyAZPTVUFKNCVDGP-UHFFFAOYSA-N
XLogP2.93
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole?
The IUPAC name of 2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole (CID 147228224) is 2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole.
What is the SMILES notation for 2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole?
The canonical SMILES for 2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole is C=c1ccc(=C(C2=NC(=C(C)C)C=C2)c2ccccc2)[nH]1.
What is the InChIKey of 2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole?
The InChIKey is AZPTVUFKNCVDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-13(2)16-11-12-18(21-16)19(15-7-5-4-6-8-15)17-10-9-14(3)20-17/h4-12,20H,3H2,1-2H3.
What are the key properties of 2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole?
2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole has a molecular weight of 274.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylidenepyrrol-2-ylidene)-phenylmethyl]-5-propan-2-ylidenepyrrole is sourced from PubChem (CID 147228224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).