1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine

C15H20N2 — CID 90856754

IUPAC1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine
SMILESCCC1=C(C)N=c2c(ccn2C2CCC2)=CC1
InChIInChI=1S/C15H20N2/c1-3-12-7-8-13-9-10-17(14-5-4-6-14)15(13)16-11(12)2/h8-10,14H,3-7H2,1-2H3
InChIKeyTUFBBJLEVBYECE-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.70
Rot. Bonds2

About 1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine

1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine (PubChem CID 90856754) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine.

Molecular Properties

Compound Name1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine
PubChem CID90856754
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine
SMILESCCC1=C(C)N=c2c(ccn2C2CCC2)=CC1
InChIInChI=1S/C15H20N2/c1-3-12-7-8-13-9-10-17(14-5-4-6-14)15(13)16-11(12)2/h8-10,14H,3-7H2,1-2H3
InChIKeyTUFBBJLEVBYECE-UHFFFAOYSA-N
XLogP2.70
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 90790268
1,7-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-b]azepine;ethane
CID 141789634
N-butyl-5-methylidene-N,3-dipropylazepin-2-amine
CID 142121128
ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
CID 144801076
ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine
CID 145149548
1-methyl-3-[(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonin-2-yl]-8aH-quinoline
CID 146359404
methane;(NE)-N'-methyl-N-(5-methyl-3-methylidene-1-pentan-2-ylpyrrol-2-ylidene)carbamimidoyl chloride
CID 153631139
N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine
CID 166909240
N-ethenyl-4-ethyl-1-propan-2-yl-3-propan-2-ylidenepyrrol-2-imine
CID 170201574
1,7-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-b]azepine
CID 141789635
3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
CID 144801077
(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine
CID 145149549

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine?
The IUPAC name of 1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine (CID 90856754) is 1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine.
What is the SMILES notation for 1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine?
The canonical SMILES for 1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine is CCC1=C(C)N=c2c(ccn2C2CCC2)=CC1.
What is the InChIKey of 1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine?
The InChIKey is TUFBBJLEVBYECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-12-7-8-13-9-10-17(14-5-4-6-14)15(13)16-11(12)2/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine?
1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine has a molecular weight of 228.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine is sourced from PubChem (CID 90856754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).