5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole

C13H19NO — CID 175615007

IUPAC5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole
SMILESCCCC(C)(CC)c1cc2occc2[nH]1
InChIInChI=1S/C13H19NO/c1-4-7-13(3,5-2)12-9-11-10(14-12)6-8-15-11/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyVSSWBUKSVALZGD-UHFFFAOYSA-N
MW205.30 g/mol
LogP4.23
Rot. Bonds4

About 5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole

5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole (PubChem CID 175615007) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole.

Molecular Properties

Compound Name5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole
PubChem CID175615007
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole
SMILESCCCC(C)(CC)c1cc2occc2[nH]1
InChIInChI=1S/C13H19NO/c1-4-7-13(3,5-2)12-9-11-10(14-12)6-8-15-11/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyVSSWBUKSVALZGD-UHFFFAOYSA-N
XLogP4.23
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4H-Furo(3,2-b)pyrrole-5-carboxylic acid
CID 7141881
methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 5082263
3-(2-phenylethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44623061
2-Phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 343030
2-methyl-4H-furo(3,2-b)pyrrole-5-carboxylic acid
CID 7141883
2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 15933663
2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carbohydrazide
CID 819443
4-(3,3-Dimethyl-2-oxo-butyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid methyl ester
CID 134153628
Methyl 1H-benzofuro(3,2-b)pyrrole-2-carboxylate
CID 15259310
methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 1444679
Ethyl benzofuro[3,2-b]pyrrole-2-carboxylate
CID 11020666
ethyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 12733393

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole?
The IUPAC name of 5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole (CID 175615007) is 5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole.
What is the SMILES notation for 5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole?
The canonical SMILES for 5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole is CCCC(C)(CC)c1cc2occc2[nH]1.
What is the InChIKey of 5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole?
The InChIKey is VSSWBUKSVALZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-7-13(3,5-2)12-9-11-10(14-12)6-8-15-11/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of 5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole?
5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole has a molecular weight of 205.30 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole is sourced from PubChem (CID 175615007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).